data_2lm2_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 2lm2 _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 ' 6' ' ' GLU . . . . . 0.514 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.5 tt0 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 121.694 0.759 . . . . 74.33 110.922 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.1 Cg_endo -69.83 -28.47 24.87 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.656 2.238 . . . . 74.41 112.324 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.6 -15.32 60.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.447 . . . . 72.54 110.854 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -60.53 -27.81 67.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 72.02 110.886 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -74.92 -60.6 2.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 72.45 110.898 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.0 t -52.65 -40.91 63.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 72.23 111.105 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 11.6 mm -64.35 -44.34 97.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 73.14 111.119 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -68.87 -12.58 61.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 74.32 110.905 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.0 tt -88.96 -25.62 21.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.119 -0.491 . . . . 73.42 110.917 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.9 mt -79.26 -31.55 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 73.54 111.136 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.527 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 3.5 mt -51.89 -57.41 14.95 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.625 0.726 . . . . 73.54 111.125 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.6 Cg_endo -69.78 -36.21 11.16 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.699 2.266 . . . . 74.11 112.313 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.5 t -52.0 -57.5 9.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 73.44 110.858 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 23.5 t -62.76 -33.33 59.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 73.33 111.153 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 34.8 mt -64.96 -46.32 82.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 74.21 110.937 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.5 mt -52.83 -47.98 51.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 73.34 111.11 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 71.3 m -53.18 -50.5 64.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 73.22 111.131 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.27 -39.16 66.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 71.54 110.885 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.09 -41.38 71.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 72.04 110.878 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.96 -27.08 64.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 71.34 111.088 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 97.2 mt -80.51 -35.69 15.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 75.32 111.092 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.49 -36.7 85.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 73.33 110.913 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.9 t -70.88 -47.08 64.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 72.33 111.125 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -61.33 -23.56 65.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 75.42 110.886 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -84.78 -26.18 27.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 74.24 110.932 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 mp -116.07 71.69 4.33 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.666 0.746 . . . . 75.43 110.921 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 81.58 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.717 2.278 . . . . 64.5 112.372 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.8 p -124.1 127.29 47.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 71.24 110.858 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 t70 60.8 -177.19 0.11 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 75.24 110.823 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 18.9 m -111.08 -27.59 8.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 73.25 110.859 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.9 -24.11 62.25 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.744 . . . . 70.24 112.484 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -70.83 -36.7 73.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.893 0.378 . . . . 71.04 110.837 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -75.58 -36.13 60.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 73.43 110.909 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -68.96 -44.55 72.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 74.1 110.895 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 6.2 t -72.01 -24.99 61.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 71.35 111.158 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -64.77 -61.43 2.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 73.14 110.925 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -53.26 -48.14 68.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 71.54 110.859 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 58.9 mt -60.0 -35.41 60.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 75.35 111.115 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.0 m -68.37 -57.32 6.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 72.25 110.855 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.5 t -52.91 -34.12 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 72.44 111.133 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.6 tp -65.32 -43.56 90.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 75.33 110.919 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.55 -39.65 88.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 71.0 110.886 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.78 -44.87 86.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 61.53 111.063 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 26.1 tp -65.14 -51.97 57.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.437 . . . . 73.51 110.882 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.3 m -55.03 -44.75 74.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 71.12 111.127 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.5 t -58.77 -41.56 82.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 73.04 111.109 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -60.1 -43.77 95.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 75.23 110.882 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.1 tt -51.73 -59.18 4.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.488 . . . . 75.33 110.892 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.92 -37.41 60.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 74.13 110.899 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.9 -65.9 0.48 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 70.42 110.922 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.8 mp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 65.01 111.153 179.818 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 77.7 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.955 0.407 . . . . 72.33 110.884 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.1 p -58.01 -32.21 43.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 64.3 111.136 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -68.02 -35.08 83.27 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.766 -0.731 . . . . 71.42 112.47 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -54.66 -61.92 1.99 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.866 0.365 . . . . 70.53 110.926 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -59.37 -30.49 68.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 74.11 110.939 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -41.2 96.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.054 -0.521 . . . . 75.51 110.916 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.85 -56.11 17.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 75.54 110.823 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.93 -36.19 72.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.421 . . . . 73.44 110.902 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.3 m -71.96 -35.68 69.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 71.41 111.128 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.0 mmt -59.47 -57.0 14.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 62.44 110.907 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 29.2 m -58.16 -31.45 41.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 73.45 111.151 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.37 -46.3 60.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 74.05 110.944 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.0 t -56.26 -46.54 81.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 74.11 111.149 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.6 m -56.14 -44.18 78.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 71.2 111.17 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.84 -40.15 69.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 73.33 110.895 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 32.9 t -64.07 -43.92 93.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 71.24 110.862 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 51.7 mm -57.48 -37.88 60.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 73.41 111.116 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 9.8 t -59.36 -48.44 87.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 74.2 111.123 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 12.2 p -67.29 -39.94 86.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 73.22 111.136 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.94 -47.8 70.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 74.43 110.843 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 93.4 t -73.17 -40.7 58.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.5 . . . . 72.31 111.167 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 1.2 m -53.1 -30.95 39.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 74.53 110.89 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 92.4 t -86.73 -38.83 12.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 74.52 111.065 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.0 tp . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 74.51 110.934 179.99 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.505 -0.238 . . . . 71.22 112.505 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.21 -35.97 16.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.811 0.339 . . . . 75.11 111.136 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -68.09 -52.92 29.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 75.3 110.891 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.7 -26.04 66.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 75.11 110.864 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.96 -49.15 66.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 75.35 110.918 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.01 -24.59 66.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 74.53 110.822 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.87 -44.94 75.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 74.12 110.918 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -79.63 -42.15 25.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 73.41 110.934 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 1.1 tt -56.32 -24.61 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 64.42 111.165 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -81.11 -59.21 2.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 73.51 110.842 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 47.8 t -54.46 -27.05 16.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 73.43 111.123 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.82 -58.78 3.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 74.24 110.889 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 8.4 p -59.31 -23.61 25.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 72.0 111.1 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 5.2 m -78.0 -43.31 29.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 75.31 110.906 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 24.6 t -58.53 -34.23 50.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 71.43 111.136 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -76.76 -45.69 28.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 71.13 110.87 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -64.55 -52.48 42.78 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 74.4 112.476 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 70.1 p -56.71 -47.69 79.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.801 0.334 . . . . 61.5 111.176 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 29.4 mt -66.82 -32.79 59.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 75.01 111.109 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -54.38 -50.14 57.64 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.668 -0.777 . . . . 75.24 112.507 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 20.7 ptp -80.03 -20.0 46.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.847 0.356 . . . . 75.12 110.889 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -81.14 -16.26 53.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 73.04 110.86 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 74.52 110.961 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.504 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 5.2 tt0 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 121.628 0.728 . . . . 73.23 110.909 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.4 Cg_endo -69.81 -40.14 5.59 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.655 2.237 . . . . 74.02 112.35 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.93 -15.73 63.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 72.43 110.885 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -60.37 -25.12 65.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 74.24 110.852 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -77.73 -60.79 2.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 71.14 110.926 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.9 t -52.38 -40.84 62.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 74.11 111.14 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.2 mm -62.52 -42.34 95.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 74.31 111.124 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -66.52 -15.48 63.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 64.44 110.925 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.69 -24.15 22.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 70.01 110.92 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 46.6 mm -78.71 -32.46 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 75.41 111.127 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.531 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 1.6 mm -51.85 -57.51 14.54 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.62 0.724 . . . . 70.32 111.098 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 54.2 Cg_endo -69.73 -33.48 16.63 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.689 2.259 . . . . 62.24 112.353 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 44.3 t -52.05 -55.76 18.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 72.23 110.922 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 18.4 m -74.88 -22.81 17.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 72.13 111.128 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.6 tt -68.24 -46.12 71.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 75.32 110.898 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 5.4 mt -65.72 -43.49 93.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 75.34 111.134 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.3 m -59.9 -48.66 80.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 63.44 111.092 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 p -56.17 -39.03 71.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 73.15 110.896 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.4 mt -59.54 -45.59 91.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 74.21 110.932 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.02 -29.47 69.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 71.43 111.069 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 53.2 mt -72.3 -38.64 62.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 73.43 111.18 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 mt -60.86 -48.16 83.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 65.12 110.903 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 36.6 t -58.55 -38.04 68.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 64.23 111.151 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -73.51 -25.99 60.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 75.12 110.859 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -85.55 -15.82 41.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.195 -0.457 . . . . 73.33 110.963 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.2 mp -111.56 160.66 28.64 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.608 0.718 . . . . 75.42 110.946 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 97.15 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.739 2.293 . . . . 73.12 112.344 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.44 94.97 1.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 63.34 110.864 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -130.75 21.55 5.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 75.22 110.913 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.35 -20.24 57.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 64.0 110.887 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 140.05 -10.25 3.06 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.76 -0.733 . . . . 72.3 112.502 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.94 -30.04 32.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.855 0.36 . . . . 63.24 110.863 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.26 -54.73 41.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 74.31 110.94 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.6 mtm -57.81 -47.51 82.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 70.44 110.897 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 54.6 m -58.27 -27.62 64.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 73.54 111.176 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.7 tt -76.32 -37.69 57.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 73.14 110.911 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -56.61 -42.2 78.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 72.12 110.866 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 98.2 mt -69.6 -40.41 79.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 73.23 111.121 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 54.2 m -60.68 -53.26 59.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 65.43 110.853 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.1 t -53.35 -41.98 46.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 73.43 111.135 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.4 tp -69.25 -37.65 78.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 75.25 110.934 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.16 -51.67 68.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 72.15 110.951 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.09 -36.93 73.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 61.44 111.099 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.2 tp -64.29 -43.41 94.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 73.21 110.926 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.58 -34.93 71.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 72.01 111.134 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 42.3 t -61.51 -61.6 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 74.32 111.137 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -62.61 -37.42 86.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 71.24 110.907 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.8 tp -57.51 -52.96 63.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 73.04 110.867 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.8 tp -57.36 -38.12 73.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 75.1 110.935 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.11 -62.33 1.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 73.52 110.917 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.7 mp . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 74.33 111.115 179.829 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.917 0.389 . . . . 74.11 110.844 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.9 m -70.19 -22.54 24.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 64.33 111.142 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -73.64 -32.47 59.37 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.733 -0.746 . . . . 74.11 112.456 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -62.7 -58.8 6.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.877 0.37 . . . . 65.25 110.906 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -60.3 -37.98 82.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 72.22 110.926 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 25.1 tp -62.92 -39.49 94.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.499 . . . . 75.23 110.886 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 7.1 tpp -56.13 -53.41 57.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 75.2 110.893 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.11 -26.38 65.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 73.3 110.873 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.0 m -69.64 -40.62 76.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 72.22 111.11 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -68.96 -30.17 68.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 74.42 110.892 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 5.6 t -70.83 -51.78 33.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 73.04 111.145 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.63 -46.04 84.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 75.23 110.9 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.3 t -59.1 -40.32 80.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 72.05 111.097 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.4 m -59.52 -40.43 87.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 74.41 111.199 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -63.66 -42.14 98.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 74.22 110.925 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.09 -56.29 23.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 65.53 110.859 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 27.4 mm -52.65 -43.39 43.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 70.41 111.093 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 42.6 t -54.38 -39.74 45.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 65.24 111.085 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.75 -30.31 61.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 70.11 111.133 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 75.3 m -67.04 -51.0 60.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 61.44 110.895 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 38.4 t -59.87 -36.16 64.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 72.24 111.115 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 1.2 m -60.73 -43.71 97.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 74.3 110.897 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 69.7 t -56.14 -50.81 68.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 71.21 111.113 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.7 mm? . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 75.03 110.912 179.962 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.487 -0.245 . . . . 22.23 112.487 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.21 -35.95 16.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.837 0.351 . . . . 74.22 111.132 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -70.86 -53.11 16.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 71.52 110.846 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -26.58 62.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 74.14 110.869 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 31.4 mt -73.6 -54.04 9.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 74.35 110.928 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -60.87 -32.6 72.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 73.42 110.847 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -71.42 -46.28 60.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 73.43 110.913 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 8.0 t90 -57.22 -55.66 31.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 75.13 110.92 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 26.1 pt -59.58 -25.62 32.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 75.21 111.092 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -74.98 -37.38 61.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 71.24 110.868 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 41.1 t -67.55 -29.36 45.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 71.54 111.142 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -71.09 -55.57 7.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 71.13 110.844 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 10.5 p -61.52 -33.57 57.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 72.03 111.14 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -68.91 -55.53 10.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 74.01 110.87 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 70.8 t -63.28 -48.39 87.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 64.52 111.137 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -62.28 -38.59 89.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 64.23 110.826 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -70.03 -57.9 6.62 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.746 . . . . 60.31 112.471 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 38.0 p -54.93 -59.5 4.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.79 0.328 . . . . 74.33 111.175 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 49.8 mm -56.3 -31.83 33.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 73.25 111.11 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -54.63 -55.39 27.53 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.708 -0.758 . . . . 74.11 112.467 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 21.9 ptp -82.12 -22.14 36.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.804 0.335 . . . . 75.44 110.894 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -72.51 -22.32 61.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 75.35 110.89 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.148 -0.478 . . . . 73.25 110.928 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.511 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 1.8 tt0 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 121.637 0.732 . . . . 72.51 110.854 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.6 Cg_endo -69.74 -18.9 36.83 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.664 2.243 . . . . 72.31 112.36 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.26 -16.16 53.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 74.54 110.913 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -58.75 -23.31 59.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 70.41 110.866 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -79.29 -60.65 2.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 74.51 110.904 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.7 t -52.18 -40.52 61.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 73.03 111.16 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 91.1 mt -63.16 -43.9 99.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 75.51 111.151 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -67.71 -14.2 62.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 73.33 110.907 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.92 -24.36 22.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.473 . . . . 73.21 110.894 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.3 mp -78.73 -32.19 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 72.21 111.132 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.523 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 3.7 mt -51.97 -57.5 14.72 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.622 0.725 . . . . 75.52 111.107 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.5 Cg_endo -69.77 -33.64 16.16 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.689 2.259 . . . . 74.22 112.319 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.0 t -53.05 -58.72 6.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 74.24 110.878 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 58.2 t -62.86 -45.88 97.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 75.4 111.16 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.5 mt -53.95 -43.0 69.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 74.13 110.952 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.6 mt -55.77 -47.26 79.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 72.11 111.193 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.9 m -58.02 -53.67 55.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 71.4 111.122 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 t -52.81 -39.36 62.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 74.33 110.863 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.73 -42.61 71.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 73.12 110.908 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.95 -32.03 72.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 72.12 111.085 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.8 mt -73.02 -51.27 27.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 74.23 111.156 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.4 mt -52.75 -31.06 36.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 72.42 110.938 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.1 t -70.69 -43.88 77.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 62.12 111.169 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -74.43 -25.63 59.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 71.51 110.882 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -80.99 -30.83 34.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 75.42 110.988 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -123.24 69.87 41.41 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.631 0.729 . . . . 72.05 110.893 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 85.38 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.703 2.269 . . . . 71.1 112.366 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.9 p -109.06 -35.65 6.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.424 . . . . 71.22 110.869 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -124.25 127.69 48.06 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.177 -0.465 . . . . 75.32 110.903 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 13.3 t -75.74 -26.49 57.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 64.3 110.899 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -79.43 -7.48 88.45 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.752 -0.737 . . . . 64.22 112.426 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -71.57 -28.65 63.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.903 0.382 . . . . 64.32 110.874 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.2 mptt -62.13 -45.36 93.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 73.54 110.884 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.6 mmm -64.52 -48.08 76.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 73.24 110.874 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 71.8 p -56.48 -34.71 67.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 63.41 111.162 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.98 -48.45 73.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 71.12 110.904 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 8.7 t -54.45 -33.32 59.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 70.03 110.897 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 9.0 mt -76.39 -42.03 36.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 74.51 111.14 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.56 -53.8 36.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 65.21 110.883 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.2 p -58.03 -32.85 44.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 74.22 111.148 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.68 -41.21 54.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 75.12 110.926 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.6 tp -59.7 -51.23 70.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 74.43 110.974 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.17 -50.63 66.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 71.43 111.081 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 54.1 mt -62.64 -26.88 68.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 72.51 110.93 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 99.1 m -81.23 -26.75 35.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 75.34 111.123 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.7 t -65.83 -60.61 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 71.22 111.143 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -63.69 -38.41 91.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 74.44 110.897 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 23.8 tp -53.61 -54.87 31.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 75.34 110.931 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.58 -34.03 66.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 73.05 110.943 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.11 -57.38 9.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 73.33 110.973 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.7 mp . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 74.44 111.118 179.846 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.871 0.367 . . . . 64.12 110.844 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 10.6 p -64.52 -33.36 62.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 74.11 111.139 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -63.47 -39.06 97.28 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.776 -0.726 . . . . 73.2 112.444 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.33 -52.89 62.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.844 0.354 . . . . 74.52 110.866 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -68.35 -40.14 81.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 75.45 110.968 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 11.7 tp -57.15 -46.09 83.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 73.32 110.937 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 1.5 ttt -57.75 -53.04 62.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 75.54 110.864 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -61.7 -32.45 72.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 73.42 110.906 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.5 m -69.0 -51.6 37.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 71.43 111.148 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.9 mmt -57.29 -42.34 81.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 74.52 110.878 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 40.7 t -54.46 -57.87 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 75.25 111.126 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.71 -42.09 96.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 71.44 110.887 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 24.8 t -55.05 -51.33 55.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 70.52 111.165 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.2 m -51.88 -45.16 64.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 73.41 111.13 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -68.6 -45.13 72.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 74.05 110.845 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.75 -47.67 70.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 63.12 110.859 -179.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 29.3 mm -61.1 -41.06 87.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 74.21 111.107 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 54.8 t -60.82 -43.85 96.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 74.24 111.117 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.29 -33.93 65.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 75.42 111.148 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.75 -61.35 2.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 74.4 110.859 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 34.8 m -65.23 -22.19 30.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 75.41 111.114 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 8.6 t -69.0 -31.17 69.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 64.11 110.848 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 37.1 t -89.36 -35.58 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 73.41 111.124 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.4 tp . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 73.25 110.895 179.986 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.502 -0.239 . . . . 73.24 112.502 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.2 -35.99 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.83 0.348 . . . . 74.14 111.122 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -67.71 -55.39 13.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 73.04 110.863 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -29.48 67.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 74.14 110.879 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.0 mt -64.41 -56.08 16.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 75.11 110.923 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.25 -24.6 64.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 75.42 110.879 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.25 -43.37 78.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 71.55 110.926 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -80.21 -42.38 23.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 74.22 110.906 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 1.1 tt -56.32 -24.74 18.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.27 -0.423 . . . . 65.13 111.124 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.13 -59.24 2.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 74.22 110.842 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 65.7 t -52.53 -29.43 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 74.22 111.162 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -69.52 -61.33 1.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 74.02 110.88 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 9.3 p -60.88 -30.48 47.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 74.3 111.109 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.52 -46.13 77.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 73.02 110.907 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 19.5 t -68.25 -37.94 78.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 74.24 111.136 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -62.23 -55.78 25.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 74.11 110.864 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -63.38 -47.47 87.28 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.726 -0.749 . . . . 65.41 112.52 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.8 m -58.14 -58.82 6.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.774 0.321 . . . . 73.32 111.185 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 17.8 mm -57.04 -30.26 33.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 73.01 111.118 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -56.58 -56.76 22.93 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.736 -0.745 . . . . 73.12 112.467 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 11.4 ptp -80.41 -24.0 39.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 74.1 110.888 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -70.99 -14.19 62.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 75.51 110.875 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 74.34 110.911 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.512 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 1.6 tt0 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.635 0.731 . . . . 71.33 110.88 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.7 Cg_endo -69.79 -28.98 24.44 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.676 2.251 . . . . 63.22 112.298 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.48 -16.31 63.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.261 -0.427 . . . . 65.41 110.929 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -61.23 -21.08 63.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 72.15 110.864 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -78.57 -60.89 2.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 74.14 110.951 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.2 t -53.67 -40.68 66.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.506 . . . . 63.54 111.14 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 84.0 mt -63.2 -41.27 92.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 73.45 111.12 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -70.71 -11.17 60.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 70.54 110.885 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.01 -27.53 20.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 75.11 110.934 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 40.2 mm -79.3 -30.67 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 75.23 111.11 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.531 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 2.4 mt -51.76 -57.43 14.74 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.653 0.74 . . . . 75.31 111.167 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.5 Cg_endo -69.79 -37.9 8.47 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.679 2.252 . . . . 75.14 112.329 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -52.6 -49.28 65.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 74.21 110.87 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 49.2 t -67.09 -44.25 88.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 73.55 111.135 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -57.29 -41.26 79.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 71.32 110.926 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.5 mt -57.5 -46.89 85.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 75.0 111.141 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.0 m -63.91 -52.96 57.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 73.45 111.11 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.21 -36.18 60.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 73.24 110.878 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.85 -43.88 97.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 74.12 110.935 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.17 -32.82 73.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 74.43 111.069 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 63.4 mt -72.9 -40.91 60.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 75.23 111.124 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -66.07 -41.38 90.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 73.41 110.954 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.1 t -56.71 -54.73 25.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 74.41 111.139 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -57.37 -28.65 63.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 74.32 110.892 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -81.18 -24.98 37.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 75.31 110.924 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 mp -119.9 68.68 12.6 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.62 0.724 . . . . 73.54 110.893 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 80.55 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.64 2.227 . . . . 74.43 112.36 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.59 -32.84 58.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 75.14 110.894 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -165.97 173.76 10.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 64.12 110.834 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 59.5 m -82.9 -22.49 33.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 74.34 110.853 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -78.42 -18.32 76.19 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.799 -0.715 . . . . 74.35 112.505 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -53.68 -39.86 65.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.961 0.41 . . . . 73.24 110.892 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -57.28 -42.67 82.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 74.24 110.899 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.16 -39.82 83.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 72.32 110.91 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.7 m -63.49 -37.22 86.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 64.11 111.198 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.1 tp -70.44 -34.31 72.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 74.01 110.903 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 51.8 t -59.06 -41.08 87.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 70.11 110.888 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.9 mt -71.72 -36.47 59.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 72.1 111.144 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.5 t -68.07 -54.5 17.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 73.3 110.874 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -60.98 -22.97 28.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 75.32 111.111 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.04 -49.63 55.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 73.4 110.905 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.5 mp -58.42 -34.2 70.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 75.22 110.895 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.94 -52.71 64.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 64.05 111.123 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.32 -34.76 66.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 74.44 110.919 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.1 -32.59 74.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 74.24 111.13 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 36.9 t -64.62 -48.09 86.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 72.33 111.146 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -55.02 -45.28 75.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 74.21 110.873 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.37 -58.43 8.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 74.01 110.965 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.4 tp -53.22 -33.63 53.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 72.45 110.924 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.23 -59.44 4.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 73.35 110.921 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.0 mp . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 63.34 111.143 179.835 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.7 t . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.886 0.374 . . . . 63.15 110.851 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.9 m -59.7 -32.6 49.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 74.11 111.149 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -80.21 -39.43 15.84 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.775 -0.726 . . . . 64.24 112.468 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.45 -62.0 2.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.833 0.349 . . . . 75.34 110.894 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -56.26 -45.94 79.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 74.04 110.937 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 31.4 tp -58.5 -31.13 67.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 75.1 110.926 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 2.7 tpt -61.38 -52.41 64.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 74.21 110.908 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -67.54 -25.8 65.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 74.34 110.885 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 4.8 m -72.9 -32.8 65.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.111 -0.495 . . . . 50.11 111.135 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 7.9 mmt -71.83 -55.41 7.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 73.34 110.823 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 6.7 p -52.35 -35.43 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 65.4 111.165 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.9 mt -69.63 -53.13 20.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 73.35 110.906 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 97.0 t -54.77 -33.68 28.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 74.42 111.101 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 72.6 m -64.29 -44.29 92.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 75.15 111.165 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -62.74 -33.33 74.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 73.33 110.883 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.5 t -63.14 -45.3 92.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 64.34 110.851 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 26.3 mm -61.64 -38.22 79.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 73.44 111.151 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 69.0 t -61.28 -46.87 95.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 74.2 111.117 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 25.4 p -71.09 -30.98 67.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 74.23 111.139 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.3 t -59.37 -53.03 62.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 53.41 110.894 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 59.5 t -61.45 -36.29 72.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 74.33 111.1 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -53.42 -48.51 68.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 74.52 110.893 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 94.6 t -69.82 -27.05 31.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 73.14 111.148 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.2 tp . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 75.13 110.913 179.955 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.47 -0.252 . . . . 65.43 112.47 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.17 -35.98 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.84 0.352 . . . . 74.52 111.162 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -74.58 -55.53 5.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 73.31 110.864 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.43 -30.23 39.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 74.34 110.883 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 18.4 mt -69.72 -42.13 74.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.147 -0.479 . . . . 72.3 110.932 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -75.01 -23.74 58.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 74.45 110.906 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.8 -43.28 25.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.099 -0.5 . . . . 74.23 110.883 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -60.2 -50.87 71.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.24 -0.436 . . . . 74.35 110.963 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 2.4 pp -63.5 -31.45 52.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 73.4 111.124 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.57 -51.13 63.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 72.51 110.878 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 24.3 t -66.6 -36.6 77.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 75.25 111.108 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -54.86 -56.76 15.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 72.32 110.849 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.6 p -65.7 -30.15 49.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 75.35 111.111 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 2.0 t -66.42 -44.84 81.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 73.23 110.882 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 9.3 t -65.11 -38.42 82.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 64.21 111.126 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -65.61 -44.75 85.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 71.43 110.841 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -73.56 -48.59 17.34 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.752 -0.737 . . . . 71.33 112.477 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 10.0 m -53.01 -55.44 23.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.77 0.319 . . . . 74.43 111.117 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 38.0 mm -71.69 -22.59 21.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 74.34 111.136 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -58.55 -40.63 94.78 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.704 -0.76 . . . . 74.33 112.483 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 5.2 mmt -84.86 -30.92 24.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.765 0.317 . . . . 74.2 110.866 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -76.01 -14.22 60.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 75.2 110.896 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 1.9 tt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.497 . . . . 63.32 110.919 -179.975 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.513 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 5.1 tt0 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 121.645 0.736 . . . . 65.32 110.896 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.513 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.5 Cg_endo -69.71 -20.66 34.76 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.702 2.268 . . . . 64.22 112.335 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.06 -15.44 47.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 72.33 110.929 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -77.17 -25.01 51.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 75.22 110.875 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -70.79 -54.19 12.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 73.54 110.933 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.2 t -57.49 -39.45 76.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 73.02 111.104 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 66.3 mt -63.22 -34.52 67.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 70.43 111.131 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -77.01 -15.65 59.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 72.44 110.925 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.93 -27.55 20.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 75.2 110.95 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.4 mt -79.44 -30.73 13.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 74.03 111.082 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.524 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 1.5 mm -51.69 -57.49 14.43 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.634 0.73 . . . . 75.23 111.156 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.524 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.6 Cg_endo -69.77 -38.21 8.09 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.684 2.256 . . . . 73.35 112.349 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.2 t -52.03 -58.65 5.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 72.51 110.9 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 20.4 t -62.91 -47.51 92.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 73.21 111.115 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.9 mt -51.95 -42.23 62.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 72.43 110.92 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 6.1 mt -57.0 -48.32 81.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 72.4 111.149 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 75.3 m -62.9 -54.74 33.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 75.14 111.124 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.66 -46.56 67.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 72.01 110.877 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.3 mt -53.25 -37.4 62.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.496 . . . . 74.42 110.908 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.75 -33.87 64.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 73.0 111.109 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 86.9 mt -71.67 -50.87 36.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 74.41 111.132 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 67.1 mt -54.59 -41.74 70.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 74.32 110.907 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 5.0 t -57.6 -45.89 86.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 75.41 111.128 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -75.77 -23.94 55.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 74.2 110.889 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -81.23 -19.37 43.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 72.43 110.9 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.29 69.8 51.89 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.556 0.693 . . . . 74.34 110.928 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 83.69 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.669 2.246 . . . . 63.21 112.331 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -98.19 -176.48 3.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 60.32 110.879 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.29 35.36 3.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.125 -0.489 . . . . 62.15 110.846 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 m -105.31 -23.77 12.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.445 . . . . 65.3 110.914 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 105.97 34.62 3.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 61.34 112.469 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.97 -25.36 65.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.952 0.406 . . . . 75.04 110.912 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -63.4 -58.41 7.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 73.33 110.878 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.5 mmt -61.01 -36.2 78.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 75.02 110.895 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 56.0 m -63.02 -34.1 76.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 73.44 111.117 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.9 tp -65.39 -45.48 83.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.262 -0.426 . . . . 71.35 110.947 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.7 t -54.05 -42.28 69.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 73.33 110.885 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 85.2 mt -76.26 -31.32 20.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 74.35 111.094 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.0 t -64.92 -58.48 6.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 63.33 110.891 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.1 t -54.39 -47.39 69.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 75.1 111.109 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.38 -47.08 79.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 71.14 110.955 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.6 tp -54.5 -39.93 68.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 72.41 110.944 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.52 -46.47 80.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 62.34 111.09 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.2 tt -54.55 -45.1 73.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 74.23 110.903 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.9 -35.9 71.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 73.41 111.104 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.7 t -59.37 -45.68 93.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 74.15 111.159 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -56.69 -44.14 81.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 70.34 110.892 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.9 tt -51.86 -59.09 4.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 73.31 110.913 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.03 -34.47 65.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 72.13 110.912 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.65 -64.73 0.72 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 74.4 110.932 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.1 mp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 73.25 111.106 179.809 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.933 0.397 . . . . 71.23 110.861 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 30.7 m -55.6 -34.52 35.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.109 -0.496 . . . . 72.11 111.141 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.05 -51.73 4.6 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.725 -0.75 . . . . 55.13 112.471 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.53 -44.82 65.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.902 0.382 . . . . 75.25 110.878 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -64.9 -43.07 94.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 74.42 110.9 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.31 -42.46 70.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.495 . . . . 74.42 110.868 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 2.2 ttp -61.35 -50.19 73.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 64.41 110.868 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -62.72 -34.13 76.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 64.15 110.914 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 9.6 m -72.13 -34.42 68.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 73.42 111.13 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -61.84 -48.23 81.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 73.41 110.893 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 4.8 p -69.79 -28.24 36.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 75.3 111.13 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.05 -43.37 58.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 73.33 110.9 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 25.1 t -65.4 -46.93 88.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 74.23 111.089 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 33.6 m -52.74 -52.18 57.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 73.42 111.134 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -68.79 -30.04 68.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 75.24 110.881 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.3 m -62.19 -53.51 54.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 73.33 110.85 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 17.4 mm -54.28 -49.31 64.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 72.31 111.101 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 11.3 t -51.82 -58.25 2.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 64.45 111.168 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.89 -29.7 65.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 74.33 111.154 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.47 -60.23 2.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 62.21 110.869 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.72 -32.44 51.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 75.31 111.115 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 2.3 m -59.39 -41.31 89.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 60.12 110.864 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.9 t -74.93 -33.19 29.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 74.31 111.155 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 74.21 110.946 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.462 -0.255 . . . . 72.03 112.462 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.17 -36.0 16.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.822 0.344 . . . . 74.4 111.101 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -66.12 -59.25 3.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 60.22 110.858 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -55.18 -27.19 43.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 74.35 110.897 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.0 mt -67.34 -57.33 6.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 72.35 110.936 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.0 -24.56 63.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 74.34 110.884 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.26 -43.29 78.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 74.41 110.948 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 21.6 t90 -80.16 -42.46 23.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 72.12 110.92 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 1.1 tt -56.26 -24.73 18.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 72.1 111.178 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.11 -57.73 3.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 71.53 110.921 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 97.9 t -51.78 -29.92 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 72.53 111.112 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -70.85 -57.06 4.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 72.02 110.86 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 10.3 p -63.24 -24.39 35.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 55.52 111.073 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.64 -38.14 67.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 75.12 110.881 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 74.8 t -63.84 -43.71 97.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 65.41 111.115 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -66.58 -45.42 79.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 72.15 110.907 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -66.93 -53.92 24.36 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.688 -0.767 . . . . 65.42 112.513 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 53.2 m -53.96 -52.84 59.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.788 0.328 . . . . 74.43 111.176 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 26.3 mt -57.07 -36.55 51.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 75.21 111.159 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -57.53 -37.05 80.6 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.755 -0.736 . . . . 62.41 112.471 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 27.6 mmt -67.02 -46.74 73.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.813 0.339 . . . . 74.41 110.892 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -73.5 -14.02 61.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 74.42 110.868 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.5 tt . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 74.54 110.904 -179.95 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.499 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 6.1 tt0 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 121.656 0.741 . . . . 61.33 110.884 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 54.3 Cg_endo -69.76 -21.24 33.76 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.698 2.266 . . . . 74.13 112.359 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.28 -16.16 60.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 65.32 110.873 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -61.91 -24.26 66.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 75.1 110.869 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -74.95 -59.74 2.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 75.43 110.871 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.2 t -54.23 -38.41 65.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.505 . . . . 73.24 111.127 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.8 mm -59.54 -47.83 89.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 75.11 111.098 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -67.1 -13.68 62.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 72.43 110.9 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.0 -24.38 22.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 72.3 110.918 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.4 mp -78.78 -32.37 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 74.1 111.12 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.524 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 2.0 mm -51.78 -57.44 14.71 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.655 0.74 . . . . 74.22 111.154 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.524 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.7 Cg_endo -69.77 -34.49 14.45 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.721 2.281 . . . . 74.12 112.321 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -52.39 -55.4 21.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 72.34 110.877 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.1 t -71.47 -28.14 30.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 71.52 111.121 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.0 tt -65.84 -45.55 81.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 72.4 110.916 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 7.3 mt -65.27 -42.42 93.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 63.21 111.17 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -59.14 -49.13 79.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.126 -0.488 . . . . 74.42 111.156 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.49 -45.59 66.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 75.32 110.856 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.03 -48.91 75.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 62.52 110.897 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.96 -27.01 69.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 72.23 111.061 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 48.9 mt -78.97 -46.24 23.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 73.53 111.138 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.09 -41.39 92.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 75.21 110.907 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 43.3 t -64.75 -40.69 89.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 74.13 111.138 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.59 -35.44 74.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 74.52 110.888 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -81.9 -26.6 33.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 72.31 110.955 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.9 mp -133.96 71.13 74.16 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.561 0.696 . . . . 73.44 110.885 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 175.5 7.99 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.685 2.257 . . . . 73.15 112.337 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.52 165.32 27.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 55.44 110.891 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -81.65 -13.26 58.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 70.33 110.894 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -79.55 -6.42 56.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 70.23 110.886 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 75.26 41.68 30.52 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.744 . . . . 64.13 112.509 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -61.27 -31.68 71.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.886 0.374 . . . . 74.12 110.839 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.8 tptt -68.89 -33.83 74.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 75.04 110.893 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.1 mtp -63.35 -58.67 6.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 73.11 110.909 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 5.5 t -57.31 -27.11 61.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 65.11 111.118 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.47 -49.87 56.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 73.21 110.922 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.0 t -52.71 -43.21 65.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 75.44 110.903 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 59.9 mt -64.44 -37.63 80.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 74.13 111.114 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.9 m -70.44 -49.63 46.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 73.23 110.855 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.5 t -52.21 -40.28 30.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 75.04 111.13 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.23 -45.9 86.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 74.14 110.86 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.8 tt -61.67 -47.88 83.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 73.12 110.912 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.52 -44.69 72.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 70.21 111.051 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.67 -40.48 92.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 75.23 110.96 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 46.1 m -65.78 -38.37 88.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 74.24 111.13 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 64.3 t -59.15 -53.94 41.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.425 . . . . 73.42 111.114 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -65.82 -39.03 90.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 74.45 110.864 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.0 tt -57.65 -37.94 74.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 74.54 110.896 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.6 mp -70.31 -39.38 74.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 75.42 110.923 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.16 -61.57 2.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 75.32 110.875 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.4 mp . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 74.44 111.122 179.858 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.917 0.389 . . . . 74.12 110.848 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 34.8 m -60.19 -25.45 33.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 72.35 111.132 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -72.3 -33.88 61.35 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.719 -0.753 . . . . 75.22 112.484 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -63.18 -57.04 11.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 74.33 110.903 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -53.48 -40.86 65.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 73.12 110.919 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.37 -37.77 88.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 74.43 110.883 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 2.1 ttt -59.95 -56.25 24.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 70.55 110.895 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -65.14 -29.09 69.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 71.33 110.904 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 16.4 m -68.83 -48.81 62.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.162 -0.472 . . . . 72.14 111.14 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.8 mmt -57.09 -35.04 68.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 74.21 110.891 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 30.9 t -65.72 -59.72 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 71.53 111.146 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.6 tp -56.89 -45.85 82.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 74.42 110.928 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.7 t -57.13 -47.32 84.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 65.52 111.138 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.8 m -51.93 -42.17 62.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 70.41 111.165 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.98 -50.39 70.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 72.23 110.879 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 82.4 p -64.38 -46.01 85.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 70.32 110.849 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 17.6 mm -58.38 -43.15 85.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 71.42 111.133 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 10.4 t -53.33 -60.94 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 65.42 111.13 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -57.83 -23.83 54.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 74.24 111.171 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.42 -51.58 59.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 62.23 110.883 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 38.9 t -68.57 -36.83 76.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 74.13 111.125 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 32.6 t -56.1 -33.15 64.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 72.55 110.92 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 76.0 t -76.79 -37.77 28.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 75.12 111.161 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 74.34 110.911 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.463 -0.255 . . . . 62.22 112.463 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.18 -36.03 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.791 0.329 . . . . 71.44 111.07 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -70.46 -51.96 25.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 74.15 110.879 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -53.72 -38.69 64.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 75.04 110.883 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.0 tp -64.1 -50.64 67.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 74.33 110.874 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -62.93 -37.11 85.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 74.2 110.887 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.0 -46.5 65.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 75.42 110.902 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 24.2 t90 -55.99 -51.92 66.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 74.43 110.923 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 27.9 pt -64.78 -29.47 47.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 75.35 111.126 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -65.58 -35.42 80.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 62.54 110.885 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 98.0 t -72.93 -34.47 46.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 72.44 111.153 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.88 -61.85 2.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 73.23 110.835 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 11.2 p -57.29 -29.74 33.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 73.42 111.115 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 1.8 m -73.46 -28.81 62.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 75.24 110.915 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 25.7 t -70.41 -61.59 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 73.41 111.14 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -60.76 -27.73 68.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 73.45 110.883 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -68.98 -58.79 6.42 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.725 -0.75 . . . . 74.43 112.444 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 33.0 p -68.14 -54.09 20.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.761 0.315 . . . . 73.01 111.167 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 33.4 mm -59.64 -32.61 49.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 73.24 111.152 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -57.85 -55.36 30.99 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.75 . . . . 55.21 112.524 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 18.2 ptp -79.38 -22.09 44.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.827 0.346 . . . . 75.44 110.877 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -79.76 -13.99 59.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 74.25 110.885 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 73.13 110.904 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.528 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 5.1 tp10 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 121.667 0.746 . . . . 71.13 110.905 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 54.0 Cg_endo -69.71 -22.57 32.12 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.679 2.253 . . . . 74.15 112.331 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.81 -15.17 63.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 73.44 110.89 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -63.65 -26.05 68.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 75.13 110.929 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -75.99 -59.07 2.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 65.44 110.93 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.1 t -52.92 -41.24 64.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 75.02 111.133 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.2 mm -61.49 -43.87 97.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 64.34 111.165 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -67.75 -13.25 61.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 74.55 110.921 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.02 -24.65 22.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 72.02 110.896 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.5 mm -78.64 -32.51 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 73.3 111.12 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.521 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 1.8 mm -51.77 -57.51 14.45 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.645 0.735 . . . . 73.3 111.132 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.7 Cg_endo -69.76 -34.0 15.47 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.669 2.246 . . . . 72.54 112.332 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.5 t -52.06 -56.23 15.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.279 -0.419 . . . . 74.15 110.908 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.7 m -70.45 -31.87 48.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 72.31 111.126 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.5 tp -62.26 -45.29 93.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 72.21 110.887 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.1 mt -64.0 -39.17 84.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 75.22 111.11 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.0 m -55.97 -52.15 65.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 72.52 111.15 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.07 -42.59 69.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 64.03 110.824 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 mp -59.61 -45.35 92.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 74.24 110.915 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.9 -38.55 91.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 64.51 111.118 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.24 -41.88 93.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 74.31 111.157 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.57 -30.64 70.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 74.21 110.911 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 18.9 t -67.47 -37.21 78.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 75.51 111.116 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -72.27 -26.91 62.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 73.11 110.896 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -80.16 -29.45 38.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 75.42 110.927 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.6 mp -137.54 73.44 48.72 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.636 0.731 . . . . 73.51 110.915 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 162.73 40.93 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.732 2.288 . . . . 74.52 112.328 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.17 162.2 35.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 63.23 110.844 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -95.42 12.26 29.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 74.13 110.864 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 56.9 m -91.61 13.25 18.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 75.11 110.894 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.35 28.71 59.4 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.742 . . . . 75.44 112.539 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -56.88 -35.72 69.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.888 0.375 . . . . 74.14 110.854 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -61.42 -55.94 25.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 74.44 110.903 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 5.6 mtt -56.37 -42.89 78.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 73.22 110.885 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.9 m -64.27 -53.83 42.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.279 -0.419 . . . . 74.31 111.126 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.52 -42.93 83.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 71.32 110.907 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 39.0 t -52.41 -46.2 66.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 73.43 110.883 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.6 mt -70.18 -39.63 77.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 71.33 111.163 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.3 -50.77 72.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 73.14 110.855 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.4 t -53.86 -46.02 63.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 72.31 111.133 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 49.3 tp -71.83 -24.44 61.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 70.4 110.92 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.6 -49.39 77.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 73.43 110.885 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.33 -54.91 14.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 74.14 111.131 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -53.5 -32.81 51.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 74.2 110.914 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.1 m -71.09 -36.8 72.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.184 -0.462 . . . . 72.4 111.191 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 70.0 t -56.4 -56.31 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 64.43 111.162 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -68.38 -47.51 67.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 74.32 110.852 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.27 -53.92 37.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 73.02 110.912 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 28.0 tp -55.76 -34.79 65.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 73.14 110.912 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.23 -56.82 12.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 75.11 110.861 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.1 mp . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 74.23 111.126 179.857 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 63.0 m . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.887 0.375 . . . . 73.34 110.866 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 13.2 m -58.79 -28.0 36.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 72.33 111.147 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -77.74 -33.77 41.22 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.812 -0.708 . . . . 53.24 112.478 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -69.59 -54.76 12.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.839 0.352 . . . . 72.31 110.876 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -62.47 -29.64 70.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 75.52 110.91 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.4 tp -72.93 -36.81 67.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 74.02 110.928 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.84 -58.35 8.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 75.41 110.882 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -64.89 -33.83 76.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 74.32 110.843 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.9 m -55.11 -58.05 9.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 72.54 111.143 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.5 mmt -54.95 -38.71 68.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 61.24 110.879 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 3.7 t -60.74 -43.06 94.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 72.13 111.092 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.1 tp -72.4 -34.35 67.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 73.23 110.887 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.6 t -67.81 -49.08 72.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 73.41 111.155 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 99.0 m -53.41 -44.03 68.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 72.31 111.129 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -57.62 -45.55 85.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 71.42 110.855 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 71.0 m -56.43 -47.11 79.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 72.25 110.86 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 35.8 mm -57.47 -45.48 85.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 74.33 111.11 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 97.3 t -61.39 -26.55 39.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 73.51 111.09 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -79.46 -53.18 7.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 73.32 111.157 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 97.5 p -61.98 -38.55 88.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 65.55 110.866 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 24.7 t -63.83 -44.1 98.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 73.32 111.121 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 2.0 t -58.49 -37.38 75.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 64.53 110.907 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 80.3 t -61.26 -50.82 78.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 73.22 111.108 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 74.51 110.908 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.387 0 N-CA-C 112.526 -0.23 . . . . 45.31 112.526 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.26 -35.91 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.793 0.33 . . . . 73.15 111.156 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -62.7 -45.72 91.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 73.01 110.874 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.89 -41.9 75.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 75.0 110.878 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.33 -50.35 73.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 72.25 110.921 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.4 -31.81 66.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 75.1 110.886 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.54 -47.7 25.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 74.31 110.938 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 22.2 t-105 -53.14 -43.13 66.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 73.02 110.916 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 30.0 pt -74.28 -24.19 18.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 72.31 111.113 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -73.06 -47.76 41.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 73.32 110.882 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 16.6 t -68.55 -26.06 32.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 73.24 111.113 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -64.65 -58.52 6.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 75.4 110.929 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.3 p -61.49 -24.64 34.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 71.15 111.158 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -77.83 -57.78 3.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 74.31 110.863 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 47.2 t -62.6 -43.4 98.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 73.24 111.121 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -66.6 -38.44 87.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 73.42 110.884 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -71.55 -57.48 5.98 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.762 -0.732 . . . . 73.41 112.438 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 38.4 p -56.74 -63.91 1.05 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.835 0.35 . . . . 74.15 111.14 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 28.8 mm -53.93 -29.53 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 62.32 111.111 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -53.53 -55.37 25.32 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 73.45 112.462 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 11.4 ptp -83.3 -22.75 32.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.838 0.351 . . . . 75.11 110.884 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -74.11 -15.42 61.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 73.33 110.937 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 1.1 tt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 63.14 110.909 -179.955 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.497 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.4 tt0 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 121.65 0.738 . . . . 75.22 110.903 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 54.1 Cg_endo -69.77 -25.55 28.45 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.706 2.271 . . . . 72.01 112.339 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.33 -15.54 63.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 74.24 110.934 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -62.86 -20.2 64.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 73.34 110.881 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -73.78 -60.99 2.0 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.179 -0.464 . . . . 70.41 110.893 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.3 t -52.98 -37.01 60.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 72.25 111.14 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.2 mt -64.73 -42.18 94.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 75.44 111.128 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.18 -11.75 61.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 62.32 110.933 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.91 -27.15 21.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 72.04 110.914 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.6 mm -79.25 -30.69 14.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 74.33 111.102 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.527 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 0.9 OUTLIER -51.74 -57.49 14.5 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.648 0.737 . . . . 74.24 111.168 179.847 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.6 Cg_endo -69.79 -37.8 8.62 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.677 2.252 . . . . 71.52 112.352 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.0 t -52.22 -53.54 42.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 73.24 110.887 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.1 m -75.26 -25.06 17.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 75.21 111.106 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.1 tp -66.03 -56.38 11.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 71.53 110.946 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 34.9 mt -58.05 -42.77 83.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 73.3 111.095 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.0 m -52.46 -49.94 63.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 71.11 111.14 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.98 -39.29 71.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 74.24 110.91 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.27 -44.8 92.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 72.1 110.908 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.05 -27.45 68.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 72.32 111.103 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 94.7 mt -77.57 -36.44 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 74.12 111.134 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.2 mp -74.74 -32.63 62.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.201 -0.454 . . . . 73.42 110.914 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.1 t -64.06 -55.31 22.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 73.13 111.181 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -60.54 -30.13 69.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 64.33 110.831 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -76.92 -38.5 53.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 75.32 110.955 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -116.0 71.02 4.0 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.606 0.717 . . . . 75.14 110.91 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 111.28 2.77 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.678 2.252 . . . . 61.13 112.369 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.29 -18.37 18.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 74.51 110.851 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.9 t0 61.17 42.82 11.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 75.24 110.852 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -108.61 3.3 22.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 74.42 110.857 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 96.4 7.65 57.99 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.751 -0.738 . . . . 74.31 112.512 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -64.32 -27.7 69.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.905 0.383 . . . . 72.4 110.876 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.64 -53.22 60.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 73.4 110.914 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 14.8 mtm -62.65 -40.14 96.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 64.2 110.888 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 64.0 m -62.08 -38.92 90.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 64.24 111.107 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.0 tp -61.1 -45.73 93.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 71.51 110.955 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 52.6 t -55.06 -41.74 71.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 70.24 110.863 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 82.4 mt -74.38 -26.5 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 74.31 111.131 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.1 m -75.63 -56.24 4.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 73.34 110.833 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.8 p -59.7 -28.57 40.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 72.43 111.156 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.81 -29.94 50.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 72.24 110.881 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.3 tp -70.14 -51.48 31.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 74.24 110.923 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.47 -46.74 83.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 72.52 111.107 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.4 tp -63.14 -31.11 72.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 70.31 110.893 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 20.6 m -71.71 -34.11 69.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 74.52 111.153 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.3 t -60.79 -61.38 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 75.51 111.134 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -62.28 -37.79 86.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 75.11 110.95 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.2 tt -54.23 -58.82 5.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 75.14 110.908 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 17.8 mt -52.39 -33.96 45.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 62.2 110.918 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.09 -58.7 5.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 72.21 110.971 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.6 mp . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 71.03 111.138 179.822 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.4 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.929 0.395 . . . . 75.32 110.834 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 36.0 m -54.25 -33.89 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 71.43 111.13 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -70.69 -60.38 4.66 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.728 -0.749 . . . . 73.14 112.495 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -54.3 -43.69 71.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.86 0.362 . . . . 71.23 110.851 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -52.25 -51.67 57.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 75.3 110.885 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.93 -33.19 75.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 75.22 110.903 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -60.46 3.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 73.43 110.923 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -65.13 -27.42 68.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 73.41 110.87 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.2 m -61.7 -52.49 64.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 73.4 111.115 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 10.3 mmt -60.38 -43.55 96.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 75.0 110.866 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 3.9 t -52.37 -53.53 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 75.44 111.125 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.1 mp -68.4 -43.55 77.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.888 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.5 t -53.05 -41.38 41.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 74.55 111.142 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 26.9 m -63.17 -44.6 95.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 65.51 111.14 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -62.22 -40.7 96.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 71.34 110.893 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.89 -55.13 36.68 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.121 -0.49 . . . . 73.53 110.851 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 19.7 mm -53.57 -38.39 33.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 65.31 111.095 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 15.1 t -58.53 -43.72 87.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 74.0 111.13 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.6 m -74.4 -23.04 58.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 72.34 111.133 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.8 t -65.7 -53.44 40.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 72.11 110.85 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 5.3 p -69.92 -24.15 26.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 71.41 111.14 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.79 -55.45 6.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 74.13 110.841 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -66.54 -19.21 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 74.3 111.137 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 60.1 tp . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 75.42 110.931 179.954 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.502 -0.239 . . . . 72.4 112.502 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.21 -35.97 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.842 0.353 . . . . 74.21 111.168 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -62.35 -57.05 12.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 63.44 110.886 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -23.77 67.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 73.22 110.855 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.91 -54.56 12.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.483 . . . . 72.24 110.922 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -61.32 -25.78 67.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 73.14 110.872 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -75.57 -50.98 13.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 72.13 110.923 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 20.0 t90 -53.83 -48.26 70.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 73.4 110.919 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 31.8 pt -68.48 -26.56 33.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 71.54 111.173 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -76.33 -34.38 58.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 75.15 110.862 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 46.5 t -76.02 -29.94 20.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 74.33 111.113 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.06 -45.21 70.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 71.31 110.869 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.7 p -67.54 -31.81 54.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 55.34 111.102 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -80.49 -20.93 42.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 73.44 110.883 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.4 t -83.07 -55.25 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 72.12 111.088 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -59.81 -48.92 79.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 71.53 110.869 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -60.05 -52.82 50.49 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.753 -0.737 . . . . 51.5 112.51 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 21.2 m -55.17 -54.65 40.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.737 0.303 . . . . 63.03 111.148 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 40.9 mt -57.36 -33.27 43.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 73.32 111.144 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -54.68 -57.51 17.42 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.721 -0.752 . . . . 52.25 112.49 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 16.6 ptp -76.61 -21.63 55.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.841 0.353 . . . . 70.15 110.89 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -77.42 -15.25 59.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 72.44 110.91 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 73.34 110.94 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.506 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 3.8 tt0 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.625 0.726 . . . . 62.54 110.904 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.9 Cg_endo -69.78 -22.93 31.3 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.7 2.267 . . . . 75.13 112.32 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.73 -38.89 70.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 72.31 110.897 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.12 -26.92 60.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 74.52 110.897 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -60.9 -60.97 2.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 71.24 110.923 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.6 t -52.83 -39.78 62.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 74.42 111.17 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.3 mt -63.44 -41.37 92.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 74.44 111.159 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -69.6 -13.97 62.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 75.15 110.857 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -88.95 -24.95 22.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 74.43 110.88 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.4 mp -78.79 -32.13 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 71.44 111.139 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.526 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 2.6 mt -51.73 -57.52 14.36 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.62 0.724 . . . . 72.34 111.125 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.7 Cg_endo -69.78 -35.0 13.39 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.65 2.234 . . . . 72.43 112.353 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.7 t -53.2 -57.99 8.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 75.25 110.941 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.8 t -72.98 -43.14 59.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 74.42 111.123 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.2 tt -52.16 -56.41 14.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 64.42 110.91 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 8.3 mt -51.86 -50.77 31.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 74.14 111.119 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 80.7 m -53.33 -55.26 26.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 75.12 111.175 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.1 -49.69 63.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 74.31 110.858 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.1 mt -54.84 -36.96 65.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 72.2 110.895 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.96 -25.94 60.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 63.15 111.117 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 94.1 mt -78.06 -53.92 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 75.4 111.113 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.2 mp -53.86 -47.46 70.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 64.54 110.915 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 14.7 t -57.9 -50.48 77.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 74.41 111.132 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.18 -40.39 77.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 75.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -76.03 -10.52 59.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.157 -0.474 . . . . 74.22 110.936 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 mp -139.46 72.04 37.76 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.598 0.713 . . . . 75.41 110.945 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 130.24 19.06 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.73 2.286 . . . . 65.43 112.349 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.95 179.03 4.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 75.22 110.87 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -126.51 19.01 7.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 73.22 110.854 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.1 m -107.6 -12.9 15.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 70.41 110.882 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 111.92 11.1 17.19 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.742 -0.742 . . . . 63.11 112.485 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.22 -33.95 59.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.924 0.392 . . . . 73.54 110.871 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.6 mmmt -56.34 -56.31 22.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 75.42 110.894 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.2 ttt -56.56 -47.85 78.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 75.41 110.888 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 63.0 m -54.85 -28.28 48.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 73.54 111.111 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.42 -40.88 63.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 62.53 110.944 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 36.8 t -60.3 -45.2 94.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 74.33 110.873 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 3.6 mt -72.84 -26.31 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 74.34 111.129 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.3 t -72.2 -55.23 7.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 55.4 110.835 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.9 t -56.98 -36.41 50.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 72.53 111.102 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.2 tt -69.97 -37.55 75.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 74.54 110.938 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.22 -53.05 56.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 73.5 110.92 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.07 -46.07 82.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 63.2 111.078 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.92 -28.22 67.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 72.12 110.9 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.5 m -69.66 -45.66 67.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 62.22 111.142 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 57.9 t -52.49 -57.84 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 74.55 111.139 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -63.11 -37.27 86.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 75.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.0 mt -51.85 -58.97 4.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 74.31 110.9 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.7 mt -55.92 -33.8 65.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 73.21 110.86 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 tt -51.71 -63.61 1.08 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.243 -0.435 . . . . 70.33 110.874 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.8 mp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 74.35 111.1 179.866 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.4 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.902 0.382 . . . . 73.04 110.879 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.4 p -55.81 -32.91 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 75.4 111.072 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -76.53 -42.9 20.93 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.775 -0.726 . . . . 73.44 112.43 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -60.19 -38.83 84.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.85 0.357 . . . . 74.42 110.842 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -72.01 -43.04 65.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.172 -0.467 . . . . 75.14 110.906 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.49 -29.67 69.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 65.44 110.89 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.18 -55.75 22.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 72.53 110.859 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -70.88 -25.49 62.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 73.44 110.849 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.6 m -72.91 -48.48 36.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 75.31 111.143 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.83 -38.9 89.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 73.02 110.872 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 15.2 t -57.92 -57.27 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 75.02 111.121 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.47 -46.92 88.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 74.21 110.89 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.6 t -51.95 -47.38 41.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 72.12 111.107 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.5 m -56.33 -50.43 71.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 63.11 111.153 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.26 -33.99 77.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 72.34 110.927 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.39 -51.66 62.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 73.01 110.843 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 10.1 mm -52.65 -42.89 42.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.475 . . . . 75.32 111.128 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 25.3 t -55.5 -45.1 78.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 72.14 111.097 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.81 -25.65 61.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 75.42 111.117 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.45 -41.99 92.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 73.22 110.867 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 27.4 t -71.82 -40.91 69.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 72.41 111.074 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 7.9 t -57.98 -35.15 70.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 71.41 110.879 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 85.3 t -73.57 -42.52 55.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 74.42 111.107 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 75.13 110.877 -179.995 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.497 -0.241 . . . . 75.34 112.497 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.17 -35.99 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.857 0.36 . . . . 73.24 111.108 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -54.19 -59.88 4.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 72.34 110.893 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 1.7 mtm-85 -59.86 -24.65 64.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 75.12 110.877 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.12 -60.36 2.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 75.44 110.861 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -58.75 -29.57 66.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 74.11 110.864 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -69.24 -51.06 41.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 75.33 110.963 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 56.1 t-105 -52.93 -58.06 8.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 75.25 110.974 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 25.9 pt -58.14 -25.69 27.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 74.02 111.128 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -78.39 -32.26 48.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 75.11 110.86 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 64.5 t -72.77 -30.58 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 72.54 111.146 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -72.34 -54.31 9.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.478 . . . . 74.23 110.891 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 4.5 p -55.16 -31.76 26.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 75.33 111.118 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -73.26 -34.21 65.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 75.22 110.866 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 29.9 t -69.26 -46.94 76.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 65.12 111.088 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -74.74 -41.51 59.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 71.14 110.866 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -59.77 -51.1 61.03 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.792 -0.718 . . . . 73.43 112.47 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 94.7 m -61.96 -44.84 95.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.794 0.33 . . . . 75.24 111.168 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 52.7 mt -59.79 -32.61 50.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 74.52 111.154 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -64.06 -55.7 22.6 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.752 -0.737 . . . . 54.1 112.48 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 24.1 ptp -72.98 -20.51 61.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.77 0.319 . . . . 74.31 110.886 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -81.45 -19.27 42.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 70.21 110.894 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.121 -0.49 . . . . 72.53 110.921 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.51 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 4.5 tt0 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.67 0.748 . . . . 75.11 110.908 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.9 Cg_endo -69.78 -38.93 7.08 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.695 2.263 . . . . 72.54 112.328 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.05 -15.51 62.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 75.12 110.935 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -63.25 -26.73 68.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 74.32 110.864 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -76.49 -59.31 2.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 71.15 110.944 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.8 t -51.85 -41.6 61.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.5 . . . . 62.02 111.169 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.4 mm -61.0 -44.51 98.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 74.23 111.13 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -66.64 -13.96 61.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 61.52 110.882 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.97 -23.72 22.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.481 . . . . 70.51 110.89 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.5 mm -78.5 -33.09 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 74.43 111.101 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.529 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 1.1 mt -51.87 -57.45 14.81 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.607 0.718 . . . . 73.12 111.135 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.6 Cg_endo -69.74 -33.21 17.12 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.706 2.271 . . . . 75.42 112.344 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.8 t -54.13 -58.45 7.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 60.31 110.896 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 26.8 m -72.45 -34.79 49.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 72.12 111.122 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.0 tp -58.32 -47.19 84.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 75.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 49.9 mt -73.76 -52.36 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 74.21 111.126 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 39.4 m -52.74 -56.11 17.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 74.24 111.165 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.3 t -52.18 -40.77 61.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 74.34 110.895 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.31 -38.08 82.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 74.44 110.892 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.01 -30.64 61.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 64.41 111.13 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 42.2 mt -76.67 -40.69 33.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 62.41 111.108 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -69.42 -24.66 63.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 72.52 110.917 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.5 t -76.55 -44.88 34.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 61.01 111.136 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.41 -40.55 94.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 74.12 110.877 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -81.27 -50.07 9.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.174 -0.466 . . . . 74.44 110.939 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.71 70.44 9.48 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.643 0.735 . . . . 74.14 110.904 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 137.88 36.48 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.646 2.23 . . . . 75.12 112.35 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.6 t -106.74 -13.24 15.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 71.12 110.878 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -145.01 -170.14 3.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 75.2 110.908 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -108.74 -23.64 11.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 74.22 110.875 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -107.73 17.43 35.98 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.741 . . . . 65.02 112.496 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.07 -21.08 59.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.938 0.399 . . . . 73.1 110.903 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -69.51 -59.06 3.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 74.32 110.926 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.2 -41.79 76.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 71.33 110.889 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.3 m -58.58 -34.61 71.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 71.04 111.088 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.1 -48.54 65.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 75.4 110.919 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -55.68 -34.36 64.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 64.12 110.888 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 14.6 mt -78.14 -34.83 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 75.05 111.132 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.0 t -70.97 -45.74 63.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 73.43 110.845 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.2 p -65.53 -30.79 51.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 64.22 111.173 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.8 mt -73.18 -33.43 65.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 74.51 110.937 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.5 tt -68.89 -56.11 8.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 63.21 110.874 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.71 -49.38 76.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 73.22 111.125 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 32.2 tp -60.32 -37.22 79.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 71.04 110.925 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.7 m -61.58 -39.63 91.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 74.4 111.145 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 50.5 t -57.94 -60.54 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 74.53 111.123 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -61.48 -45.34 94.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 72.15 110.881 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.43 -41.85 73.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 72.14 110.873 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.1 tt -61.05 -35.87 78.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 70.22 110.929 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.92 -61.92 2.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 75.04 110.894 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.5 mp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 63.44 111.089 179.879 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.963 0.411 . . . . 72.02 110.865 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 33.9 m -75.69 -27.79 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 64.55 111.15 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -63.06 -29.13 73.42 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.692 -0.766 . . . . 74.22 112.476 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.59 -62.43 1.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.901 0.381 . . . . 75.01 110.931 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -67.11 -25.48 66.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 73.34 110.915 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.7 tp -69.23 -45.0 70.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.475 . . . . 71.33 110.968 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 45.0 ttp -57.63 -51.51 69.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 75.33 110.876 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -63.1 -25.31 68.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 71.54 110.907 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.7 m -76.9 -50.92 12.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 74.44 111.127 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.5 ttm -58.46 -37.47 75.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 74.42 110.888 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 4.3 t -61.52 -62.08 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 73.35 111.139 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.86 -49.48 76.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 63.54 110.945 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.9 t -55.88 -45.56 79.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 74.41 111.085 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.9 m -56.89 -37.6 71.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 73.24 111.138 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -65.51 -44.28 87.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 74.02 110.915 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.96 -48.86 69.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.5 . . . . 63.42 110.891 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 8.8 mm -57.39 -40.69 75.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 73.11 111.171 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 17.5 t -56.2 -42.24 72.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.492 . . . . 75.44 111.131 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -38.23 81.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 72.21 111.169 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.7 t -56.34 -57.37 12.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 74.21 110.895 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 83.2 t -63.18 -26.58 41.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 74.41 111.12 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.26 -30.78 70.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 72.04 110.916 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 91.2 t -82.66 -32.45 10.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 70.52 111.109 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.1 tp . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 73.44 110.911 179.963 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.511 -0.236 . . . . 51.42 112.511 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.24 -35.99 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.827 0.346 . . . . 74.3 111.115 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -52.99 -44.25 67.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 74.51 110.856 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -51.5 69.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 74.22 110.878 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.1 mp -53.5 -34.08 56.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 73.51 110.886 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -72.11 -29.9 64.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 75.03 110.89 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.95 -46.65 56.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.499 . . . . 74.3 110.908 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -53.17 -55.78 21.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 74.21 110.885 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 23.2 pt -60.84 -29.98 46.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 74.05 111.142 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -75.74 -26.65 57.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 74.5 110.859 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 94.7 t -81.07 -37.72 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 75.44 111.072 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -67.36 -31.58 71.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 72.04 110.889 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 10.4 p -81.62 -34.07 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 71.14 111.107 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.3 -20.68 40.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 73.12 110.86 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.9 t -83.93 -55.71 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 73.51 111.12 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -57.02 -42.2 79.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 65.32 110.861 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -70.07 -58.44 6.16 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 64.54 112.486 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 99.7 m -57.28 -60.25 3.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.743 0.306 . . . . 71.33 111.1 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 40.2 mm -54.53 -26.82 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 74.23 111.132 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -58.12 -60.15 9.49 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.741 . . . . 52.34 112.504 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 10.0 ptt? -81.69 -23.46 36.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.778 0.323 . . . . 75.43 110.892 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -72.12 -14.0 61.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 73.43 110.874 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 64.54 110.887 -179.94 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.517 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 3.7 tt0 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.597 0.713 . . . . 73.11 110.924 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.2 Cg_endo -69.74 -26.92 27.18 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.66 2.24 . . . . 63.42 112.346 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.01 -21.9 43.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 72.44 110.946 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -77.26 -30.28 54.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 74.31 110.857 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -65.04 -58.71 5.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 74.43 110.941 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.0 t -52.72 -39.51 62.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 61.2 111.164 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.7 mm -62.19 -43.3 97.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 72.02 111.092 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -68.19 -13.35 62.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 75.11 110.865 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -88.96 -25.2 22.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 74.25 110.908 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.8 mm -78.97 -31.35 14.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 75.23 111.149 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.533 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 1.6 mt -52.37 -57.49 15.26 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.617 0.722 . . . . 75.22 111.121 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.8 Cg_endo -69.71 -35.31 13.03 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.677 2.251 . . . . 75.42 112.395 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 39.9 t -55.68 -57.41 12.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 74.13 110.878 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.6 t -65.25 -31.66 54.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 61.03 111.116 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.91 -35.34 78.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 74.24 110.919 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.4 mt -64.65 -42.21 94.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 75.24 111.147 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.2 m -59.16 -47.18 86.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 72.32 111.178 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.67 -45.43 66.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 72.32 110.882 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -52.06 -53.33 43.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 74.5 110.903 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.38 -43.94 84.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 74.33 111.111 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 60.9 mt -60.91 -43.5 95.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 73.44 111.124 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.1 -28.81 69.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 75.42 110.912 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 20.3 t -73.85 -40.03 52.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 75.44 111.15 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -70.47 -37.21 74.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 74.22 110.899 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -80.42 -24.37 39.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 74.12 110.883 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.9 mp -142.04 71.91 23.16 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.61 0.719 . . . . 73.12 110.944 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 161.29 46.5 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.723 2.282 . . . . 72.51 112.338 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -120.3 -171.89 2.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 71.2 110.882 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -101.49 -18.79 15.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 75.03 110.873 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.56 -18.41 59.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 74.15 110.885 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 92.84 56.9 1.46 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.7 -0.762 . . . . 74.54 112.514 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -63.1 -19.53 64.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.897 0.379 . . . . 75.51 110.857 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.49 -47.51 83.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 72.13 110.89 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.72 -35.12 62.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 71.33 110.875 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.66 -31.52 72.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.425 . . . . 60.43 111.166 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.03 -46.94 49.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 75.1 110.925 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.8 t -56.24 -38.83 71.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 65.24 110.912 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 18.2 mt -72.12 -33.32 46.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 65.24 111.11 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.9 t -73.29 -60.17 2.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.458 . . . . 75.13 110.839 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.8 p -52.29 -30.44 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 75.31 111.129 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.6 tt -70.76 -46.69 62.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 74.15 110.902 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.3 -36.92 71.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 75.02 110.9 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.6 -47.61 84.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 74.23 111.051 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.1 tp -54.23 -46.86 72.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 72.53 110.897 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.53 -35.35 80.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 63.51 111.13 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 43.3 t -62.39 -39.67 85.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.43 . . . . 73.21 111.127 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -66.29 -42.74 87.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 75.33 110.885 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.97 -50.63 66.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 75.52 110.925 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.11 -28.63 68.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 75.23 110.941 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.74 -56.07 23.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 74.21 110.888 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.2 mp . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 71.21 111.136 179.846 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.887 0.375 . . . . 75.2 110.84 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.4 p -61.71 -19.34 20.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 75.11 111.139 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -57.98 -34.74 73.22 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 74.41 112.46 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -63.76 -65.88 0.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 63.42 110.855 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -57.03 -43.94 82.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 73.32 110.898 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 19.8 tp -56.0 -41.9 75.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 74.43 110.932 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 29.1 ttp -54.23 -48.71 70.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 73.34 110.853 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -72.96 -32.06 64.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 74.32 110.878 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.3 m -62.04 -56.05 22.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 74.12 111.125 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.2 mmt -55.32 -41.71 72.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 70.51 110.913 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 3.6 t -54.29 -61.53 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 74.12 111.102 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.48 -42.52 92.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 62.51 110.9 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.8 t -56.48 -44.1 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 72.34 111.135 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 m -58.12 -43.35 87.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 71.14 111.131 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -65.32 -28.53 69.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 74.44 110.896 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.1 m -73.03 -49.28 29.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 75.31 110.802 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 40.8 mm -63.93 -36.69 77.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 74.13 111.101 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 3.6 t -57.9 -54.55 30.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 73.34 111.155 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 91.0 m -66.41 -39.33 88.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 74.23 111.141 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.2 m -58.35 -44.23 88.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 73.44 110.83 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 78.3 t -70.23 -29.92 41.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 73.3 111.127 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.58 -30.06 56.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 74.22 110.903 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 52.6 t -80.32 -36.79 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 72.44 111.126 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 71.01 110.94 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.457 -0.257 . . . . 73.55 112.457 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.18 -36.01 16.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.86 0.362 . . . . 72.41 111.162 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -71.52 -58.01 3.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 74.53 110.864 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -52.27 -34.32 45.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 75.24 110.914 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.7 tp -60.63 -59.38 5.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 72.11 110.901 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.01 -24.56 67.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 65.41 110.897 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.92 -44.93 75.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 74.54 110.929 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -79.59 -42.13 25.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 74.41 110.961 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 1.1 tt -56.31 -24.67 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 72.45 111.142 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -81.08 -59.2 2.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 73.51 110.885 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 37.3 t -52.79 -28.74 13.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 75.4 111.147 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -70.32 -57.08 5.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 74.03 110.875 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 11.1 p -64.45 -25.63 38.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.109 -0.496 . . . . 73.55 111.104 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 62.8 m -79.07 -57.37 3.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 75.23 110.89 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.7 p -59.61 -23.36 25.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 74.05 111.165 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -74.6 -48.5 26.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 74.2 110.886 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -70.97 -40.05 63.14 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.73 . . . . 64.03 112.496 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 31.7 p -65.67 -60.0 3.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.817 0.341 . . . . 74.41 111.141 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 26.7 mm -57.98 -24.79 24.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 74.14 111.16 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -61.84 -58.04 14.73 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.702 -0.761 . . . . 73.0 112.506 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 8.3 ptp -81.75 -25.11 35.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.791 0.329 . . . . 75.04 110.824 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -71.35 -51.32 24.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 71.21 110.926 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 74.54 110.902 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.519 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 5.3 tt0 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.647 0.737 . . . . 74.31 110.888 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.6 Cg_endo -69.79 -34.36 14.64 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.706 2.271 . . . . 74.4 112.34 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.78 -20.71 66.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 75.42 110.888 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -83.0 -32.71 26.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 75.4 110.882 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.19 -50.44 63.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 72.43 110.932 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.8 t -51.89 -41.66 62.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 74.54 111.181 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 80.6 mt -61.76 -41.44 90.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 71.42 111.098 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -70.38 -11.15 60.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 71.51 110.83 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.89 -27.77 20.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 74.45 110.939 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.5 mm -79.29 -30.48 14.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 73.41 111.142 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.526 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 1.4 mm -51.81 -57.45 14.73 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.609 0.718 . . . . 74.54 111.138 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 54.0 Cg_endo -69.78 -38.23 8.03 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.688 2.258 . . . . 74.05 112.368 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -52.02 -56.84 11.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 75.24 110.915 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 61.4 t -65.97 -46.31 88.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 63.51 111.113 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -52.44 -43.64 65.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 74.41 110.909 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 9.6 mt -56.77 -48.39 81.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 73.21 111.173 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.97 -55.5 12.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.193 -0.458 . . . . 74.34 111.153 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.72 -37.19 58.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 72.01 110.907 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.8 mt -64.33 -39.38 93.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.092 -0.504 . . . . 71.53 110.958 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.7 -32.38 60.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 62.14 111.139 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 55.1 mt -74.15 -48.94 35.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 75.53 111.107 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.4 mp -53.94 -51.74 62.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.183 -0.462 . . . . 73.4 110.907 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 5.2 t -53.06 -51.51 37.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 65.41 111.152 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -62.97 -20.68 65.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 74.32 110.906 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -85.93 -32.97 21.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 72.43 110.92 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.0 mp -128.41 68.81 78.01 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.579 0.704 . . . . 73.44 110.921 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 120.86 7.58 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.666 2.244 . . . . 74.4 112.386 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.19 175.11 5.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 72.43 110.862 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -100.09 19.07 17.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.11 -0.496 . . . . 65.24 110.896 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.1 t -100.48 -9.8 21.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 74.11 110.879 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 92.41 44.29 4.06 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.701 -0.761 . . . . 72.1 112.493 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -68.25 -21.52 64.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.898 0.38 . . . . 60.13 110.865 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.79 -45.76 91.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 74.04 110.887 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 7.5 ttt -73.67 -43.06 60.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 75.13 110.862 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 74.5 m -56.3 -41.44 75.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.256 -0.429 . . . . 74.41 111.18 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.44 -39.65 92.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 64.14 110.955 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 42.6 t -53.04 -46.04 68.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 70.55 110.862 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 12.9 mm -69.11 -33.2 57.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 74.33 111.105 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.49 -56.37 16.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 73.34 110.885 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.2 t -53.3 -40.37 39.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 70.12 111.107 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.0 tt -58.44 -41.6 85.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 75.43 110.883 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.5 -43.02 79.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 75.2 110.911 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.88 -45.16 78.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 70.31 111.127 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -54.24 -43.31 70.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 65.02 110.876 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.11 -42.44 94.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 73.44 111.148 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 71.4 t -56.14 -46.29 81.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 74.41 111.108 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -54.98 -39.87 69.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 74.24 110.921 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.98 -55.67 28.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 73.31 110.952 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 18.0 mt -57.74 -34.49 69.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 74.43 110.948 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.01 -62.5 1.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 74.24 110.89 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.0 mp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 73.34 111.155 179.818 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.926 0.393 . . . . 75.22 110.873 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.3 p -58.3 -25.28 26.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 72.11 111.117 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -79.51 -35.61 28.71 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.743 -0.741 . . . . 64.34 112.459 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.76 -60.39 3.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.84 0.353 . . . . 74.21 110.884 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -61.53 -48.85 79.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 74.32 110.942 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.7 tp -52.39 -35.93 52.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 75.24 110.925 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -60.08 4.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 73.11 110.885 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.17 -23.82 65.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 75.02 110.855 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 58.2 m -71.54 -53.89 12.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 72.45 111.16 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.1 mmt -61.48 -32.8 72.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 73.43 110.877 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 5.1 t -62.7 -57.54 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 62.25 111.136 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -65.21 -33.21 75.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 72.32 110.929 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.6 t -61.96 -39.06 82.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 71.31 111.137 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 55.3 m -66.42 -44.61 82.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.469 . . . . 70.31 111.117 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -24.03 67.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 64.34 110.891 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.05 -43.22 54.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 73.44 110.835 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 22.2 mm -58.57 -37.01 62.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 71.23 111.157 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 49.0 t -65.32 -46.73 89.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 73.42 111.101 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -69.88 -31.27 69.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 61.15 111.112 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.37 -61.47 2.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 74.12 110.883 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 11.7 p -64.51 -30.44 50.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.51 . . . . 70.44 111.156 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.17 -45.67 65.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 73.43 110.882 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.5 t -76.93 -28.28 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 71.01 111.166 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 65.34 110.928 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.487 -0.245 . . . . 63.21 112.487 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.15 -36.08 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.82 0.343 . . . . 74.31 111.121 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -74.32 -41.14 61.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 74.11 110.873 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 1.5 mtt85 -65.2 -36.1 83.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 75.44 110.922 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.07 -44.39 96.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 75.04 110.957 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -67.94 -24.74 65.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 71.52 110.887 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.54 -44.39 51.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 74.11 110.926 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 23.0 t90 -56.12 -44.11 78.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.464 . . . . 74.51 110.929 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 38.6 pt -72.66 -24.89 21.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 74.35 111.094 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.28 -38.16 81.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 75.54 110.902 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 67.9 t -71.28 -41.73 74.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 75.33 111.115 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -57.39 -56.0 27.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 72.21 110.82 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 11.4 p -58.71 -32.2 46.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 72.1 111.116 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.35 -46.2 61.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 75.45 110.885 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 37.5 t -66.39 -62.31 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 74.32 111.11 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -57.52 -28.94 63.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 73.31 110.872 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -70.29 -57.0 7.12 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.777 -0.725 . . . . 75.24 112.512 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 41.5 p -54.87 -48.41 72.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.781 0.324 . . . . 75.1 111.118 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 94.1 mt -66.12 -28.57 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 75.11 111.167 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -72.03 -46.09 38.0 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 42.51 112.531 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 23.4 ptp -75.54 -24.01 56.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.799 0.333 . . . . 74.41 110.87 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -83.8 -34.41 24.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 71.14 110.922 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.494 . . . . 74.5 110.949 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.509 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 1.9 tt0 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 121.619 0.723 . . . . 71.34 110.9 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.4 Cg_endo -69.79 -20.53 34.59 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.726 2.284 . . . . 74.42 112.339 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.28 -17.46 62.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 74.11 110.933 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -78.56 -25.5 45.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 72.51 110.936 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -66.7 -57.18 7.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 75.33 110.924 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.1 t -53.13 -39.65 63.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.498 . . . . 74.14 111.104 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 61.6 mt -60.05 -45.68 95.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 72.34 111.144 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -67.16 -14.79 63.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 74.1 110.888 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.28 -23.54 23.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 73.24 110.966 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.3 mp -79.21 -32.26 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 75.21 111.113 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.529 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 2.3 mt -51.98 -57.46 14.91 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.613 0.721 . . . . 71.24 111.143 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.9 Cg_endo -69.76 -34.68 14.1 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.698 2.265 . . . . 70.34 112.336 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -53.84 -56.86 13.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 73.21 110.869 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.6 t -62.47 -42.01 94.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 73.35 111.153 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.83 -45.7 85.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 73.03 110.921 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 5.1 mt -52.7 -50.63 40.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 71.3 111.11 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.1 m -55.28 -45.47 76.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 75.02 111.109 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.2 p -54.59 -41.84 70.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 71.0 110.846 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.5 mt -53.43 -56.47 16.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 74.43 110.874 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.05 -41.21 67.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 70.41 111.13 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 51.1 mt -65.58 -36.06 76.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 73.3 111.138 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -44.45 92.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 74.11 110.906 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 31.2 t -60.23 -36.98 71.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 73.44 111.128 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -74.9 -18.13 60.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 74.41 110.888 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -96.04 -21.34 18.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 72.33 110.901 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.6 mp -130.13 72.98 81.75 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.552 0.692 . . . . 75.12 110.871 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 142.34 47.7 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.684 2.256 . . . . 75.43 112.328 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.43 162.69 37.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 72.34 110.886 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.6 p30 -98.48 45.32 1.01 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 73.42 110.879 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.23 0.62 21.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 74.11 110.868 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.4 24.64 58.6 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.732 -0.747 . . . . 75.2 112.486 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.99 -35.34 78.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.855 0.36 . . . . 74.33 110.878 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.21 -51.06 65.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 74.15 110.916 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.8 mtt -67.12 -42.39 84.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 75.25 110.881 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 55.1 m -59.4 -38.75 81.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 73.51 111.155 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.38 -47.91 84.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 75.14 110.947 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.6 t -58.67 -32.73 69.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 74.11 110.871 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 51.3 mt -75.37 -30.91 23.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 74.32 111.113 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.53 -55.2 7.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 65.43 110.889 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.2 p -61.48 -25.35 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 75.0 111.128 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.3 tt -75.02 -53.78 8.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 75.11 110.92 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.1 -51.39 58.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 74.43 110.927 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.13 -42.45 69.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 64.02 111.096 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.63 -47.84 75.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 74.33 110.929 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.7 m -69.52 -29.91 67.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 75.22 111.133 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 23.6 t -68.63 -32.96 57.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 73.13 111.098 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -69.62 -49.38 54.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 75.33 110.917 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.59 -59.25 4.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 65.43 110.923 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.7 tp -52.56 -37.74 58.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 71.31 110.921 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.88 -65.99 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 74.1 110.921 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.9 mp . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 64.31 111.104 179.844 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.926 0.393 . . . . 72.3 110.848 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.9 p -54.05 -30.96 20.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 63.53 111.164 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -79.65 -42.72 11.02 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.768 -0.729 . . . . 73.23 112.459 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -55.24 -55.96 25.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.842 0.353 . . . . 71.22 110.88 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -64.25 -32.44 74.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 71.43 110.882 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 38.5 tp -65.94 -45.85 80.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 75.33 110.932 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.89 -45.64 71.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 74.32 110.93 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -65.97 -33.24 75.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 73.51 110.879 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 51.7 m -74.0 -29.43 61.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 74.04 111.166 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 5.5 mmt -65.77 -55.01 19.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 71.42 110.858 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 22.3 m -62.17 -27.48 42.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 75.21 111.137 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.21 -57.53 3.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 72.32 110.894 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -61.41 -21.0 24.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 74.22 111.126 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.0 m -69.59 -51.82 31.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 72.35 111.115 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -59.06 -37.01 76.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 72.32 110.866 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.8 t -60.48 -45.96 91.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 71.21 110.868 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.7 mm -57.34 -48.45 82.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 63.43 111.15 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 53.9 t -56.31 -39.81 62.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 73.35 111.123 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.63 -27.52 64.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 63.13 111.113 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.4 m -66.08 -43.74 86.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 71.54 110.851 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 93.8 t -78.45 -40.11 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 74.12 111.122 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 34.9 t -54.86 -40.45 69.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 51.43 110.882 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 74.3 t -71.19 -43.35 75.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 72.32 111.129 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.7 mm? . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 72.1 110.936 179.965 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.485 -0.246 . . . . 72.3 112.485 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.2 -35.99 16.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.853 0.359 . . . . 75.32 111.139 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -61.84 -55.06 33.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 60.41 110.907 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.49 -30.67 61.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 74.22 110.838 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.1 mt -65.8 -46.12 79.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 73.3 110.85 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.0 -24.59 66.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 71.24 110.884 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.3 mp -68.23 -43.64 77.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 74.21 110.909 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 7.1 t-105 -80.13 -42.23 23.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 71.44 110.954 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 1.1 tt -56.3 -24.81 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 74.0 111.147 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.09 -59.12 2.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 75.14 110.914 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 65.5 t -53.27 -28.28 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 75.41 111.116 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -70.34 -59.43 2.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 74.1 110.878 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 11.3 p -62.75 -23.06 31.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 74.42 111.14 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -79.55 -51.72 8.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 73.42 110.866 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 25.4 t -61.27 -43.24 96.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 74.34 111.173 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -60.44 -61.86 2.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 64.43 110.873 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -55.44 -46.74 79.57 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 62.21 112.469 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 39.7 m -58.62 -60.85 3.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.764 0.316 . . . . 71.32 111.129 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 23.2 mt -52.74 -33.22 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 74.14 111.108 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -57.41 -60.56 8.79 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.716 -0.754 . . . . 71.32 112.532 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 23.3 ptp -73.71 -23.23 59.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.78 0.324 . . . . 73.43 110.855 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -73.02 -14.33 61.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 73.32 110.905 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 75.23 110.948 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.521 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 3.1 tt0 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.619 0.723 . . . . 73.12 110.858 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.3 Cg_endo -69.77 -35.79 11.97 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.707 2.272 . . . . 72.51 112.317 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.37 -16.3 63.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 74.33 110.955 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -58.24 -23.1 54.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 72.54 110.879 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -73.15 -60.82 2.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 73.13 110.935 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.3 t -59.89 -38.34 81.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.074 -0.512 . . . . 73.34 111.13 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.6 mm -64.57 -45.77 94.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 65.21 111.149 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -67.89 -13.08 61.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 74.41 110.872 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.95 -24.85 22.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 73.23 110.938 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.4 mp -78.95 -32.14 15.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 74.12 111.109 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.535 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 2.2 mt -51.95 -57.5 14.71 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.608 0.718 . . . . 74.32 111.098 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.8 Cg_endo -69.71 -36.2 11.38 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.671 2.247 . . . . 74.32 112.369 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -52.58 -54.71 29.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 64.33 110.88 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 26.9 m -76.78 -35.04 23.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 71.32 111.095 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.9 tp -58.44 -44.5 89.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 73.21 110.93 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 13.2 mt -67.02 -42.55 88.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 75.1 111.14 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.5 m -52.35 -54.82 26.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 73.42 111.099 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.1 p -52.71 -42.87 65.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 61.25 110.867 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -61.48 -35.94 79.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 63.03 110.93 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.14 -29.9 54.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 74.01 111.104 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.8 mt -76.73 -43.63 33.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 74.13 111.102 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 86.8 mt -65.12 -32.08 73.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 71.34 110.956 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 5.4 t -68.89 -50.16 56.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 74.54 111.088 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -65.22 -20.64 66.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 73.51 110.87 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -77.68 -45.01 26.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.131 -0.486 . . . . 73.2 110.948 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 mp -89.95 160.71 40.15 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.608 0.718 . . . . 62.21 110.919 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 150.55 68.25 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.695 2.263 . . . . 65.31 112.352 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.2 t -79.51 152.44 30.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 61.52 110.884 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.54 -74.29 0.61 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.153 -0.476 . . . . 75.22 110.903 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.7 t -109.11 -11.61 14.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.224 -0.444 . . . . 71.51 110.873 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 134.41 38.4 0.2 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 70.15 112.514 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.79 -28.07 46.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.934 0.397 . . . . 64.03 110.922 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -65.62 -40.87 93.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 75.5 110.907 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.92 -42.32 70.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 71.41 110.917 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 69.9 p -60.57 -29.87 69.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 72.04 111.104 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.22 -41.37 66.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 74.43 110.896 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.9 t -53.84 -48.61 69.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 75.45 110.874 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 44.6 pt -71.66 -25.61 24.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 74.23 111.105 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.9 m -71.99 -54.55 9.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 64.34 110.878 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 27.5 t -51.67 -44.83 36.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 73.22 111.133 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 35.7 tp -67.52 -29.15 68.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.122 -0.49 . . . . 75.35 110.935 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.4 tp -55.66 -60.9 2.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 72.11 110.931 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.53 -43.52 72.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 64.14 111.045 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.51 -28.83 47.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 74.45 110.941 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.3 m -82.22 -34.34 28.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 74.32 111.16 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 91.5 t -51.84 -58.92 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 73.24 111.127 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -68.72 -41.79 78.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 70.32 110.886 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 41.4 tp -51.74 -37.33 50.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 62.23 110.895 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.1 tp -81.92 -32.74 30.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 73.11 110.959 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -51.72 -52.33 49.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 64.02 110.95 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.5 mp . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 71.44 111.123 179.811 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.951 0.405 . . . . 63.43 110.882 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.2 p -56.12 -25.52 19.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.499 . . . . 71.41 111.128 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -76.34 -38.41 33.84 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.718 -0.753 . . . . 72.41 112.526 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -54.51 -55.57 27.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.847 0.356 . . . . 73.43 110.888 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -59.44 -47.79 84.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.487 . . . . 74.23 110.953 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.26 -31.29 63.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.09 -0.505 . . . . 74.53 110.913 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 1.8 tpp -63.36 -45.93 88.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 72.11 110.879 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -77.76 -36.95 50.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 72.33 110.831 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 59.9 m -64.74 -37.66 88.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 75.24 111.102 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.0 mmt -66.63 -49.88 64.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.273 -0.422 . . . . 74.4 110.891 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 17.6 t -53.48 -41.31 44.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 62.55 111.123 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.5 tp -74.61 -49.22 22.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 72.4 110.938 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 15.5 t -52.6 -49.03 46.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 72.1 111.158 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.2 m -54.65 -57.04 13.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 73.44 111.136 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.19 -26.03 62.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 74.41 110.88 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.4 t -71.76 -34.34 69.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 72.45 110.842 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 32.2 mm -69.73 -41.21 79.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.476 . . . . 75.23 111.12 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 74.8 t -63.95 -44.48 97.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 72.41 111.137 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 29.0 p -72.05 -29.6 64.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 75.04 111.151 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.41 -55.68 31.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 63.14 110.861 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 32.1 m -74.34 -22.76 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 74.53 111.105 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 35.2 t -60.82 -42.79 98.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 73.45 110.842 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.7 t -76.97 -43.76 32.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 73.31 111.135 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.1 tp . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 64.22 110.907 179.974 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.518 -0.233 . . . . 75.53 112.518 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 3.5 tp -50.88 -48.22 28.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.82 0.343 . . . . 72.11 111.104 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -70.5 -21.0 62.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 71.14 110.886 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 5.1 mmt180 -75.31 -44.73 43.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 71.03 110.904 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -76.66 -41.69 44.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 71.22 110.912 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -56.47 -38.3 71.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 71.52 110.867 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.09 -45.08 74.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 71.43 110.95 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -59.29 -50.95 72.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 75.13 110.885 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 33.0 pt -64.5 -23.04 32.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 73.32 111.098 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -74.48 -41.87 59.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 73.41 110.874 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 8.5 t -69.88 -23.45 25.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 64.21 111.103 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -73.14 -57.05 4.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 64.33 110.904 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 2.7 p -53.73 -32.18 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 70.23 111.125 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 87.4 m -78.16 -54.17 6.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 74.14 110.873 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 11.5 t -54.0 -46.17 65.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 70.21 111.124 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -56.83 -50.12 73.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 72.22 110.874 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -64.55 -55.79 20.94 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.77 -0.729 . . . . 62.12 112.48 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 10.7 p -56.14 -63.05 1.31 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.794 0.331 . . . . 73.21 111.146 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 48.4 mm -55.73 -33.73 34.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 74.43 111.122 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -55.85 -53.01 44.93 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.756 -0.735 . . . . 63.55 112.43 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 24.6 ptp -79.84 -29.55 40.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.8 0.333 . . . . 73.02 110.896 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -68.85 -14.61 63.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 73.1 110.874 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 71.24 110.901 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.509 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 5.3 tt0 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.657 0.741 . . . . 72.41 110.895 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.7 Cg_endo -69.76 -24.53 29.55 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.679 2.252 . . . . 72.15 112.374 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.5 -25.81 68.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.175 -0.466 . . . . 73.11 110.918 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -68.45 -25.68 65.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 73.34 110.891 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -69.48 -60.75 2.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.504 . . . . 72.03 110.907 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.2 t -52.71 -40.48 63.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 75.21 111.118 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.5 mt -57.66 -46.79 86.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 72.21 111.105 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.45 -14.6 63.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 74.35 110.868 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.96 -23.49 22.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 72.34 110.936 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.2 mp -78.28 -33.35 17.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 75.12 111.175 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.518 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 1.2 mm -51.84 -57.5 14.57 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.596 0.713 . . . . 74.43 111.115 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.7 Cg_endo -69.73 -32.28 19.02 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.703 2.268 . . . . 75.01 112.346 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.1 t -52.29 -58.84 5.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 72.44 110.886 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 29.2 m -66.54 -31.82 55.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 73.23 111.103 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.9 mt -63.76 -43.49 96.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 71.55 110.914 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 9.5 mt -61.49 -44.65 98.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 74.25 111.135 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -59.69 -49.06 79.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 73.01 111.129 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -34.61 58.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 75.1 110.86 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.66 -47.3 85.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 72.55 110.885 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.17 -35.55 81.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 54.51 111.119 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 22.6 mt -70.82 -45.49 73.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 73.22 111.149 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 35.9 mt -61.5 -27.55 68.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 63.13 110.877 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 75.7 t -73.7 -46.58 47.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 74.44 111.096 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -59.23 -33.34 70.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 75.44 110.898 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -80.74 -25.98 37.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.097 -0.501 . . . . 75.22 110.908 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.26 71.87 18.03 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.577 0.703 . . . . 64.41 110.947 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 119.31 6.28 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.67 2.247 . . . . 75.11 112.353 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 68.2 m -153.05 142.55 21.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 64.4 110.819 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.6 t0 63.13 167.68 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 71.24 110.877 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -101.14 -21.84 14.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 71.52 110.883 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.11 10.99 69.75 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 73.55 112.532 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -83.37 -44.96 14.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.934 0.397 . . . . 73.23 110.911 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.73 -32.22 59.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 65.1 110.861 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.15 -58.9 3.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 72.31 110.907 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.99 -25.05 64.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 72.21 111.123 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.4 tp -64.45 -55.84 18.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.281 -0.418 . . . . 72.11 110.89 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.8 t -53.14 -41.85 65.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 72.21 110.881 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 3.6 mt -70.46 -42.58 78.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 64.21 111.119 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.48 -60.1 4.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.142 -0.481 . . . . 75.25 110.875 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 24.2 t -52.19 -36.79 21.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.501 . . . . 73.44 111.139 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.3 mt -59.67 -44.95 93.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 74.02 110.887 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.2 tt -59.84 -52.61 64.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 75.54 110.915 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.79 -36.36 72.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 70.2 111.094 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -73.39 -36.12 66.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 75.21 110.897 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 30.9 m -67.93 -37.6 81.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 72.34 111.119 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 23.3 t -63.71 -42.17 95.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 71.13 111.101 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -75.13 -38.51 61.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 75.54 110.862 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.3 tt -64.41 -58.43 6.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 73.51 110.883 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 18.8 mt -53.2 -37.55 62.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 73.3 110.956 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.3 tt -54.42 -53.37 54.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 74.35 110.887 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.2 mp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 72.12 111.152 179.821 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.92 0.39 . . . . 75.2 110.894 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 22.1 m -69.3 -30.14 44.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 74.33 111.166 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -67.81 -33.97 81.48 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.711 -0.757 . . . . 75.12 112.514 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -68.96 -63.54 1.04 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.895 0.378 . . . . 74.3 110.933 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -52.85 -42.84 65.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 74.31 110.909 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 58.4 tp -59.74 -35.13 73.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.481 . . . . 73.13 110.934 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -50.47 73.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 73.34 110.925 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -72.8 -22.94 60.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 74.31 110.895 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.9 m -76.73 -42.92 39.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 74.23 111.117 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -38.83 92.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 71.21 110.9 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 3.4 t -61.29 -54.67 31.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 75.43 111.147 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -50.64 69.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 72.3 110.912 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 26.4 t -54.93 -40.46 53.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 75.41 111.116 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 m -61.6 -34.49 75.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 73.04 111.137 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.28 -52.65 64.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 72.2 110.9 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.5 -49.85 63.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 75.01 110.842 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 48.0 mm -60.48 -36.53 70.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 74.4 111.103 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 36.1 t -64.37 -36.07 76.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 74.22 111.122 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 7.3 m -71.76 -38.3 70.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 72.32 111.137 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.9 p -73.47 -36.62 65.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 75.02 110.865 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 39.6 t -65.71 -31.03 51.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 73.24 111.116 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.66 -36.3 23.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.166 -0.47 . . . . 71.44 110.878 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.2 t -73.54 -44.13 54.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 61.11 111.093 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.7 tp . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 54.14 110.9 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.456 -0.258 . . . . 71.32 112.456 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.17 -35.98 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.824 0.345 . . . . 74.51 111.152 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -70.52 -49.01 52.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.471 . . . . 61.14 110.862 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.0 -31.18 60.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 75.42 110.807 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.99 -50.94 52.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 65.32 110.928 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.1 -24.56 65.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 72.45 110.878 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.2 -43.03 78.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 71.41 110.947 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 9.3 t90 -80.28 -42.51 22.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.904 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 1.1 tt -56.25 -24.73 18.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.284 -0.416 . . . . 72.35 111.185 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.13 -59.01 2.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 72.51 110.884 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 40.2 t -51.72 -29.95 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 71.55 111.175 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -69.8 -58.5 3.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 71.43 110.891 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 13.5 p -63.26 -28.0 44.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 74.21 111.107 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -73.63 -34.65 65.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 64.13 110.915 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 5.3 t -64.19 -57.64 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 71.44 111.124 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -67.85 -26.97 66.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 73.15 110.874 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -72.74 -54.07 7.7 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.745 -0.741 . . . . 74.21 112.456 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 2.3 m -67.11 -59.28 3.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.727 0.299 . . . . 75.41 111.12 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 96.5 mt -56.05 -32.65 34.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 75.42 111.139 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -56.26 -60.24 9.28 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.773 -0.727 . . . . 62.43 112.443 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 18.4 ptp -74.57 -27.75 60.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.831 0.348 . . . . 74.31 110.87 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -72.14 -14.97 61.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 72.04 110.86 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 71.21 110.909 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.49 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 5.9 tt0 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.63 0.729 . . . . 74.0 110.878 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.9 Cg_endo -69.78 -22.72 31.58 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.681 2.254 . . . . 75.41 112.375 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.51 -38.49 71.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 70.23 110.914 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -82.18 -22.16 36.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 71.41 110.851 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -71.32 -53.39 14.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 72.45 110.915 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.6 t -52.09 -40.58 61.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 72.21 111.162 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 69.6 mt -66.38 -34.41 69.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 74.11 111.14 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -74.18 -14.23 60.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 72.52 110.896 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -88.94 -27.05 21.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 64.44 110.895 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.0 mm -79.35 -30.42 13.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 75.21 111.152 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.525 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 1.4 mm -52.13 -57.44 15.17 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.63 0.728 . . . . 74.41 111.144 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.2 Cg_endo -69.84 -37.73 8.59 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.644 2.229 . . . . 72.45 112.348 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -52.47 -58.87 5.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 74.1 110.88 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 32.7 m -68.14 -23.06 28.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 74.31 111.146 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.3 mt -68.64 -56.36 8.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 74.22 110.879 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 32.0 mm -53.65 -46.91 61.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 73.2 111.128 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 91.7 m -52.72 -51.82 58.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 74.34 111.127 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 p -53.59 -38.7 64.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 61.31 110.894 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.7 tt -55.03 -43.54 73.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.102 -0.499 . . . . 62.34 110.913 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.11 -30.72 70.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 74.13 111.126 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.3 mt -75.01 -42.24 45.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 72.04 111.131 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.05 -32.84 70.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 74.43 110.939 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 49.6 t -75.34 -50.96 22.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 74.13 111.128 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -61.11 -28.8 69.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 74.21 110.864 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -81.96 -45.31 15.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 75.24 110.933 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.4 mp -124.41 70.38 54.44 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.58 0.705 . . . . 73.42 110.869 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 119.11 6.11 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.714 2.276 . . . . 73.31 112.307 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.77 -19.66 15.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 61.33 110.891 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -130.15 176.02 8.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.118 -0.492 . . . . 71.13 110.882 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 61.9 m -110.69 -19.78 12.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 75.44 110.888 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -106.77 -1.96 36.88 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.765 -0.731 . . . . 73.24 112.498 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -65.01 -32.24 73.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.904 0.383 . . . . 74.35 110.884 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.07 -55.19 33.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 72.21 110.886 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.99 -49.8 70.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 74.23 110.864 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 16.8 m -56.35 -31.06 63.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 73.21 111.129 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.7 tt -70.7 -44.09 67.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 72.32 110.878 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -52.04 -41.34 62.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.226 -0.443 . . . . 72.35 110.89 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 25.0 mm -73.45 -27.95 24.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 74.23 111.165 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.65 -59.42 3.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 73.21 110.861 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.7 p -54.78 -32.93 26.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 73.03 111.097 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.7 tp -64.65 -44.0 91.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 73.15 110.925 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.57 -39.47 80.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 72.04 110.874 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.31 -48.48 78.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 72.15 111.081 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.76 -37.21 70.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 74.54 110.945 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.09 -44.88 75.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 72.32 111.151 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 37.6 t -58.29 -36.68 59.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 72.54 111.116 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -66.61 -45.68 78.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 72.31 110.888 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.91 -59.09 4.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 74.31 110.94 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 22.2 tp -60.66 -33.56 73.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 74.4 110.946 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.29 -66.23 0.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 71.34 110.931 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.0 mp . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 70.12 111.115 179.868 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.908 0.385 . . . . 75.32 110.887 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.8 m -56.81 -31.49 35.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 73.43 111.121 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.3 -35.49 23.32 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.707 -0.758 . . . . 71.25 112.524 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.71 -48.52 81.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.894 0.378 . . . . 72.03 110.897 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -66.62 -43.48 84.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 75.1 110.924 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.28 -47.95 65.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.116 -0.493 . . . . 64.02 110.908 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 5.0 tmm? -55.67 -48.84 74.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 71.51 110.912 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -67.18 -26.11 66.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 75.33 110.865 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.3 m -72.2 -46.07 57.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 74.22 111.109 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -58.88 -36.81 75.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 63.03 110.877 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 39.1 t -63.3 -62.21 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 74.14 111.158 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.99 -44.87 83.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 62.43 110.95 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 5.8 t -54.23 -47.31 68.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 75.22 111.133 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 23.8 m -53.74 -44.89 70.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 74.33 111.184 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -61.45 -35.65 78.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 74.52 110.853 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.5 t -61.94 -37.86 86.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 64.33 110.851 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 25.7 mm -65.59 -47.4 86.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 64.25 111.15 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 76.5 t -55.28 -37.26 43.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 73.25 111.135 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 54.2 m -72.64 -24.82 61.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 70.54 111.149 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.6 m -63.68 -59.27 4.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 71.12 110.897 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 41.8 t -65.12 -40.41 88.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 74.24 111.129 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 8.5 m -55.27 -50.33 69.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 73.15 110.891 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 38.2 t -58.06 -40.02 75.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 74.32 111.127 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.7 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 73.52 110.9 179.983 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.466 -0.253 . . . . 75.43 112.466 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.17 -35.99 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.818 0.342 . . . . 74.41 111.12 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.2 -47.36 77.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 73.43 110.865 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.53 -31.94 73.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 74.32 110.876 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.61 -56.21 13.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 73.4 110.908 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -59.06 -31.89 69.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 64.24 110.883 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -72.25 -49.42 35.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 74.23 110.928 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -54.54 -48.09 72.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 75.23 110.915 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 47.6 pt -66.95 -23.59 31.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 53.54 111.124 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.98 -41.11 87.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 72.42 110.837 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 22.3 t -69.66 -36.17 69.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 63.44 111.103 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -58.86 -58.83 6.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 70.01 110.903 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.9 p -59.4 -31.79 47.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 74.44 111.153 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.99 -49.22 62.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 74.24 110.87 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.7 t -66.61 -56.4 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 73.24 111.133 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -55.17 -52.32 63.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 75.4 110.896 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -57.45 -52.95 48.65 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.726 -0.75 . . . . 74.34 112.492 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.6 m -56.55 -46.73 80.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.756 0.312 . . . . 74.4 111.107 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 38.3 mt -62.45 -32.25 54.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 74.01 111.099 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -61.83 -53.37 43.76 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.759 -0.734 . . . . 74.42 112.451 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 21.9 ptp -74.79 -31.07 61.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.837 0.351 . . . . 72.12 110.877 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -67.62 -18.71 65.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 75.41 110.888 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.506 . . . . 74.03 110.946 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.518 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 3.4 tt0 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.623 0.725 . . . . 73.53 110.908 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.3 Cg_endo -69.77 -22.27 32.26 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.714 2.276 . . . . 74.43 112.343 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.85 -45.54 70.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 71.4 110.886 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.27 -22.63 61.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 73.41 110.865 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -74.58 -58.05 3.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 71.22 110.895 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.0 t -52.06 -41.02 62.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 73.42 111.122 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 18.0 mm -62.65 -38.59 81.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 75.44 111.112 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.15 -16.06 63.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 73.44 110.874 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.8 -23.68 22.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 75.41 110.908 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 46.8 mm -78.75 -32.32 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 73.43 111.129 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.528 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 1.6 mt -52.34 -57.53 15.1 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.662 0.744 . . . . 74.03 111.148 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.9 Cg_endo -69.75 -33.49 16.5 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.665 2.243 . . . . 72.22 112.374 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 44.5 t -53.73 -58.46 7.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 75.14 110.888 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.8 t -65.33 -41.87 92.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.214 -0.448 . . . . 71.11 111.171 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.3 mt -56.23 -43.61 78.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 63.33 110.886 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 7.3 mt -59.52 -48.0 88.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 74.15 111.12 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.7 m -56.4 -47.85 78.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.135 -0.484 . . . . 75.32 111.163 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.06 -38.96 62.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 63.05 110.882 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.06 -48.14 79.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.119 -0.491 . . . . 72.45 110.886 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.3 -34.21 76.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 53.34 111.14 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 55.3 mt -73.13 -43.81 57.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 74.4 111.113 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.3 mt -60.91 -31.43 70.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 74.13 110.867 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 42.1 t -71.84 -37.28 61.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 74.23 111.152 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -65.86 -41.14 92.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 75.54 110.895 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -78.18 -34.47 49.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 74.13 110.928 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -130.05 72.04 82.03 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.592 0.711 . . . . 64.54 110.866 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 100.48 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.7 2.267 . . . . 74.42 112.334 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.89 119.44 37.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 63.14 110.844 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 61.08 174.08 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 74.1 110.878 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.0 m -104.55 -14.11 15.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 64.45 110.865 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -82.67 -10.06 83.79 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.765 -0.731 . . . . 62.32 112.486 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.56 -26.2 41.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.908 0.385 . . . . 72.45 110.896 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -68.17 -58.92 3.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.477 . . . . 73.22 110.872 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.03 -43.72 86.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 71.32 110.892 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 6.5 m -61.14 -39.02 88.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 73.32 111.11 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 tp -62.93 -50.13 72.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 75.32 110.926 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.4 t -54.51 -37.12 64.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 61.1 110.915 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 43.7 mt -75.16 -30.46 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 71.52 111.119 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.82 -54.28 12.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 72.34 110.867 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.2 p -61.98 -32.76 55.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 74.03 111.155 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.7 tt -68.86 -50.26 51.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 71.11 110.965 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 17.8 tp -58.69 -39.55 81.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 73.52 110.881 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.58 -54.68 33.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 73.2 111.071 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.19 -34.97 64.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 70.14 110.898 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.4 m -70.62 -38.68 73.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 62.45 111.106 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.2 t -58.92 -44.33 90.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 73.31 111.098 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -63.33 -42.71 98.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 71.02 110.927 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.66 -59.28 4.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 74.42 110.929 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.75 -37.47 59.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 74.12 110.914 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 tt -49.76 -66.23 0.43 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 74.55 110.919 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.8 mp . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 75.03 111.101 179.865 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.915 0.388 . . . . 72.12 110.824 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 34.8 m -57.44 -30.24 35.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 72.23 111.107 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -79.77 -32.97 35.25 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.699 -0.763 . . . . 71.31 112.487 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.86 -54.62 32.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.881 0.372 . . . . 74.42 110.944 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -65.36 -34.63 78.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 74.34 110.891 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.8 tp -63.82 -42.15 97.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.482 . . . . 75.33 110.857 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 44.6 ttm -57.5 -47.49 81.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 72.31 110.859 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -73.46 -25.05 60.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 73.15 110.886 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.9 m -71.89 -50.55 28.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.116 -0.493 . . . . 62.1 111.105 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -57.01 -43.1 81.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 74.25 110.899 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.9 t -54.13 -62.86 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 75.51 111.144 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.94 -38.23 78.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 72.14 110.92 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 5.3 t -57.97 -55.54 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 74.52 111.086 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.2 m -52.65 -31.7 38.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 74.0 111.159 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -70.7 -44.55 66.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 74.44 110.865 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.28 -30.09 66.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 74.2 110.868 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 43.0 mm -76.08 -40.22 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 75.0 111.143 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 28.0 t -53.64 -50.29 51.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 72.05 111.124 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.7 p -66.06 -37.12 85.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 75.21 111.132 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.57 -48.19 69.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 75.51 110.868 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 51.9 t -70.68 -31.64 46.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 74.41 111.146 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.24 -44.9 78.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 73.43 110.913 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.4 p -79.06 -19.15 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 74.05 111.108 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.7 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 72.3 110.898 -179.981 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.496 -0.241 . . . . 25.23 112.496 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.16 -36.02 16.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.774 0.321 . . . . 70.32 111.101 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -69.87 -53.18 19.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 63.21 110.872 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -28.72 65.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 75.44 110.87 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.26 -54.56 23.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 73.21 110.912 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -54.38 -27.44 36.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 73.25 110.888 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.8 mp -67.93 -42.59 80.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 74.41 110.938 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 32.8 t-105 -79.86 -42.32 24.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 71.4 110.902 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -56.15 -24.96 18.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 75.14 111.068 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.15 -63.57 1.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 73.33 110.872 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 52.6 t -54.48 -27.28 17.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 74.15 111.173 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -69.48 -57.08 5.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 74.13 110.906 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 14.3 p -66.87 -27.06 38.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 73.54 111.168 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 68.6 m -76.33 -53.44 8.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 73.34 110.847 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 10.5 t -55.02 -39.34 49.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 71.33 111.132 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -65.81 -59.07 4.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 74.21 110.876 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -56.38 -50.75 60.54 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 74.2 112.475 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 97.6 m -57.97 -62.66 1.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.773 0.32 . . . . 73.32 111.145 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 17.1 mm -53.87 -28.46 16.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 74.11 111.101 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -56.36 -56.72 22.95 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.718 -0.753 . . . . 72.33 112.511 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 2.3 ptt? -83.1 -22.54 33.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.791 0.329 . . . . 73.14 110.839 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -76.9 -16.33 59.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 65.54 110.859 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 71.31 110.885 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.497 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 4.8 tt0 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.62 0.724 . . . . 71.01 110.818 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.7 Cg_endo -69.74 -26.24 27.85 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.708 2.272 . . . . 74.32 112.32 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.7 -15.17 63.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 75.33 110.926 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -61.99 -20.01 63.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 73.01 110.927 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -75.41 -61.02 2.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 75.13 110.895 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.1 t -52.32 -37.26 55.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 55.43 111.147 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 84.7 mt -64.08 -40.99 91.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 74.43 111.123 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -71.3 -11.83 61.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 71.45 110.909 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.04 -27.81 20.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 73.13 110.892 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.9 mm -79.32 -30.4 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 75.14 111.086 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.527 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 1.4 mm -51.8 -57.51 14.49 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.598 0.714 . . . . 72.23 111.089 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.8 Cg_endo -69.73 -38.29 8.08 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.673 2.248 . . . . 74.14 112.34 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.7 t -52.1 -58.86 5.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 52.34 110.889 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 24.7 t -61.78 -46.15 97.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 74.42 111.114 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.83 -42.99 69.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 74.44 110.942 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.5 mt -54.88 -48.93 73.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 74.24 111.101 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 41.8 m -54.4 -55.02 32.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 74.31 111.094 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.24 -40.69 61.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 72.22 110.865 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.9 -37.5 66.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 74.21 110.911 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.0 -24.97 60.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 75.42 111.133 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 77.7 mt -84.06 -58.62 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 75.41 111.097 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.17 -29.85 34.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.474 . . . . 62.32 110.863 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 8.4 t -80.18 -43.27 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 73.24 111.102 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -71.4 -16.96 62.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 73.31 110.885 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -90.56 -28.01 18.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 64.32 110.911 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.3 73.36 67.08 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.556 0.693 . . . . 73.35 110.918 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 81.1 0.84 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.641 2.227 . . . . 74.23 112.354 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.1 m -74.3 165.1 25.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 75.21 110.897 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.67 9.88 28.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 75.45 110.851 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 97.2 m -87.98 5.75 39.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 73.33 110.91 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 77.7 27.1 59.53 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.743 -0.742 . . . . 73.15 112.5 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -62.82 -26.35 68.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.938 0.399 . . . . 73.32 110.895 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm -62.68 -54.38 40.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 74.15 110.896 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 20.8 mtt -56.81 -44.9 82.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 75.12 110.859 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 42.0 m -56.63 -41.34 76.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 75.54 111.158 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -56.11 -58.09 9.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 74.3 110.907 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.6 t -53.64 -34.64 59.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 63.32 110.878 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 31.4 mt -72.6 -31.81 38.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 75.34 111.154 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 t -68.48 -51.23 45.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.468 . . . . 74.43 110.852 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.9 t -57.29 -39.53 68.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 71.54 111.155 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.8 tp -67.52 -55.88 11.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.176 -0.465 . . . . 71.31 110.9 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.67 -34.99 60.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 72.2 110.931 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.75 -37.69 88.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 72.24 111.063 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 32.4 tp -60.22 -50.24 74.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 75.45 110.94 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.3 m -57.77 -40.61 80.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 73.2 111.142 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.5 t -58.91 -39.46 77.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 73.53 111.156 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -61.99 -43.06 99.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 72.32 110.852 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.4 mt -51.77 -59.07 4.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 72.14 110.884 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.2 tp -55.84 -33.86 64.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 65.34 110.94 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.71 -63.64 1.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 75.23 110.899 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.0 mp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 74.21 111.115 179.838 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.893 0.378 . . . . 71.35 110.842 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 20.5 m -58.76 -33.65 49.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 73.43 111.124 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -74.09 -47.59 18.05 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.776 -0.726 . . . . 71.24 112.482 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -60.8 -39.51 89.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.88 0.371 . . . . 73.23 110.888 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -61.46 -40.83 95.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 74.51 110.898 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.53 -40.04 70.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.131 -0.486 . . . . 74.35 110.89 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 6.9 ttm -54.24 -56.36 19.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 70.21 110.885 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -63.92 -34.87 78.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 64.21 110.881 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 18.0 m -63.81 -39.79 95.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 72.32 111.132 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.5 mmt -70.32 -30.68 67.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 74.02 110.809 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 10.7 t -67.97 -54.02 25.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 74.3 111.097 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.51 -47.74 80.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 75.41 110.904 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.6 t -51.91 -53.03 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 75.12 111.11 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 97.8 m -51.82 -36.73 49.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 74.43 111.146 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -72.28 -38.74 68.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 74.05 110.879 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.35 -39.63 92.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 62.34 110.876 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 15.8 mm -66.29 -43.31 91.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 75.52 111.138 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 3.8 t -52.72 -43.37 44.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 74.44 111.113 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.62 -29.12 59.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 72.11 111.134 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.84 -56.85 16.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 72.51 110.857 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 14.3 m -69.17 -23.25 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 71.14 111.124 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -67.36 -29.0 68.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 71.44 110.887 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 24.1 t -82.42 -46.16 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 74.42 111.115 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 74.3 110.971 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.479 -0.249 . . . . 70.33 112.479 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 3.2 tp -50.43 -48.27 25.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.823 0.344 . . . . 74.12 111.109 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -66.58 -25.46 66.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 75.21 110.868 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.78 -48.68 24.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 75.54 110.917 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.34 -46.22 74.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 74.13 110.927 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -61.04 -27.53 68.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 75.43 110.867 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.82 -43.69 79.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 75.54 110.93 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 51.8 t-105 -79.73 -41.67 26.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.175 -0.466 . . . . 74.34 110.894 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -56.27 -25.01 19.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 73.45 111.151 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.13 -60.02 2.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 73.43 110.878 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 97.8 t -51.67 -30.16 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 74.24 111.128 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.56 -57.02 5.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 74.11 110.861 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 11.5 p -65.01 -24.18 34.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 71.32 111.131 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.87 -49.88 16.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 74.23 110.896 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.9 t -53.42 -50.07 50.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 63.03 111.126 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -75.42 -31.36 60.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 75.42 110.86 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -65.62 -58.99 8.18 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.753 . . . . 74.3 112.485 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 25.7 p -56.36 -45.77 80.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.788 0.327 . . . . 71.14 111.169 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 11.4 mm -52.46 -45.31 45.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 71.51 111.139 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -59.98 -32.06 74.31 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 74.02 112.478 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 35.5 mmm -59.62 -57.71 11.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.78 0.324 . . . . 75.22 110.879 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.51 -14.04 60.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 73.32 110.836 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 1.1 tt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 74.33 110.93 -179.981 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.511 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 5.3 tt0 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 121.651 0.738 . . . . 74.24 110.869 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 54.0 Cg_endo -69.74 -23.12 31.26 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.668 2.245 . . . . 72.03 112.372 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.4 -22.46 51.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 74.31 110.951 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.06 -21.37 50.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 74.32 110.89 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -72.69 -56.9 4.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 73.01 110.929 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.3 t -52.25 -40.91 62.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 74.02 111.138 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 34.5 mt -62.12 -43.98 98.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 74.45 111.145 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -67.39 -13.68 62.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 73.21 110.875 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 mt -88.98 -24.22 22.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 73.13 110.884 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.0 mm -79.71 -30.54 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 74.52 111.113 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.527 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 4.0 mt -53.39 -57.47 16.78 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.654 0.74 . . . . 74.34 111.112 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.8 Cg_endo -69.78 -35.79 11.94 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.636 2.224 . . . . 74.44 112.346 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.4 t -52.26 -56.14 16.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 74.43 110.874 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 43.8 t -64.17 -47.48 89.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 73.01 111.153 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.8 tp -52.43 -46.34 66.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 72.23 110.915 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 31.4 mt -52.58 -50.97 38.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 73.13 111.148 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 58.2 m -54.16 -51.65 63.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 74.42 111.166 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.4 -40.43 65.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 54.32 110.847 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.21 -46.45 65.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 73.14 110.907 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.32 -30.01 70.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 73.44 111.063 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 94.7 mt -74.92 -45.76 42.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 74.33 111.133 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.0 mt -56.9 -36.7 70.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 74.12 110.945 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 5.0 t -68.94 -46.8 78.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 75.33 111.181 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -58.95 -30.07 67.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 74.22 110.864 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -81.45 -35.83 30.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 75.35 110.963 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -123.37 72.07 47.69 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.578 0.704 . . . . 72.43 110.89 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 96.49 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.713 2.275 . . . . 74.54 112.32 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.2 164.62 23.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 50.05 110.85 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.07 36.77 2.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 72.04 110.855 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 88.6 m -111.17 18.23 19.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 72.55 110.931 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 72.4 21.14 79.55 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.719 -0.753 . . . . 70.33 112.438 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.56 -21.75 66.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.922 0.392 . . . . 74.11 110.895 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.13 -47.82 80.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 74.52 110.939 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 7.2 mtt -76.55 -39.78 51.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 75.45 110.845 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.1 m -54.52 -38.96 67.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 72.22 111.134 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.75 -44.91 54.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 75.22 110.898 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.91 -43.92 77.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 73.31 110.908 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 54.8 mt -76.13 -29.55 19.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 75.22 111.103 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.13 -55.03 13.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 74.42 110.876 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.3 t -55.92 -43.85 76.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 73.54 111.152 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.3 mt -57.64 -34.67 69.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 75.44 110.874 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.5 tp -63.3 -44.39 95.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 74.3 110.917 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.43 -41.56 69.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 73.23 111.118 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 48.0 tp -60.73 -48.08 83.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 74.34 110.954 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -52.93 -44.58 67.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 72.45 111.129 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.1 t -62.6 -40.12 87.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 73.24 111.176 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -53.19 -55.86 20.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 72.2 110.9 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.65 -59.25 4.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 74.0 110.888 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -52.74 -37.67 59.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 74.41 110.928 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.75 -65.96 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 75.31 110.899 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.8 mp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 75.32 111.122 179.828 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.916 0.389 . . . . 74.13 110.872 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.8 m -61.78 -23.13 30.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 64.34 111.144 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -76.6 -51.46 6.51 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.688 -0.767 . . . . 63.31 112.502 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -55.08 -55.35 32.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.91 0.386 . . . . 73.02 110.913 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -52.74 -45.32 66.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 72.14 110.922 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.7 tp -56.37 -46.08 80.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 74.44 110.904 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.02 -56.44 16.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 75.32 110.859 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -60.37 -29.17 68.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 74.32 110.861 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 47.1 m -74.34 -31.45 62.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 72.53 111.184 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.8 mmt -67.3 -59.78 3.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 75.32 110.88 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 30.6 m -56.62 -30.5 32.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 73.01 111.107 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.6 mt -66.18 -53.87 32.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.447 . . . . 74.44 110.896 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.3 t -60.49 -49.3 84.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 74.35 111.123 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.0 m -52.3 -48.94 65.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 65.32 111.122 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.62 -39.18 64.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 73.44 110.858 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.8 t -60.75 -45.03 95.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 74.24 110.874 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 10.9 mm -58.1 -39.31 72.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 75.34 111.196 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 21.3 t -62.3 -36.16 73.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.12 -0.491 . . . . 73.12 111.15 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.78 -27.21 31.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 73.12 111.125 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.81 -43.97 86.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 73.2 110.861 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.8 t -83.5 -40.52 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 73.23 111.146 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 1.9 m -56.58 -29.52 62.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 72.34 110.887 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 41.8 t -86.72 -45.96 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 71.23 111.147 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 74.42 110.961 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.5 -0.24 . . . . 64.42 112.5 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.23 -35.95 16.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.81 0.338 . . . . 64.12 111.121 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -60.2 -53.05 62.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 75.51 110.865 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -65.19 -27.14 68.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 74.53 110.851 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -67.45 -57.43 6.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 74.15 110.91 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -55.31 -31.79 61.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 62.35 110.884 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.8 -47.56 18.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 75.01 110.895 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 36.2 t90 -61.28 -50.46 72.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 70.34 110.942 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 2.1 pp -61.34 -30.78 48.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 74.04 111.151 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -76.07 -37.58 58.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 75.31 110.878 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 72.4 t -68.32 -37.01 77.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 73.44 111.108 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -61.05 -57.48 12.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 75.34 110.867 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.4 p -57.77 -29.04 34.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 73.54 111.16 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -70.15 -41.14 74.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 64.24 110.88 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 33.6 t -77.72 -60.51 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 74.22 111.083 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -56.24 -43.99 79.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 74.22 110.855 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -61.34 -57.01 20.31 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.78 -0.724 . . . . 73.22 112.528 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 6.6 m -59.61 -49.85 76.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.765 0.317 . . . . 73.14 111.155 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 17.6 mm -56.99 -37.7 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 74.31 111.121 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -58.2 -60.25 9.31 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.748 -0.739 . . . . 63.24 112.458 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 19.6 ptp -66.4 -21.52 66.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.825 0.345 . . . . 74.13 110.864 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -82.95 -14.48 54.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 74.02 110.825 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.174 -0.467 . . . . 73.04 110.973 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.514 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 5.3 tt0 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 121.639 0.733 . . . . 72.11 110.854 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.9 Cg_endo -69.71 -34.59 14.45 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.677 2.251 . . . . 71.12 112.33 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.85 -19.13 63.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 72.22 110.917 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -85.59 -25.27 26.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 72.13 110.878 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -68.44 -51.04 48.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 72.1 110.933 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.9 t -54.25 -39.64 67.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 71.1 111.126 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 90.8 mt -63.95 -44.06 97.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 75.12 111.113 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.58 -12.92 61.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 75.03 110.853 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.3 tt -88.67 -25.14 22.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 75.45 110.955 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.1 mt -79.31 -31.62 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 73.12 111.167 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.535 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 1.1 mm -51.76 -57.49 14.51 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.669 0.747 . . . . 75.13 111.137 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 54.0 Cg_endo -69.75 -37.39 9.26 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.639 2.226 . . . . 64.44 112.391 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.6 m -52.48 -58.2 7.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 74.43 110.904 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 99.6 t -62.18 -30.85 49.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 65.34 111.141 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.6 tt -64.33 -48.48 75.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 74.25 110.924 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 31.9 mm -52.62 -49.78 43.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 74.43 111.131 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.6 m -53.96 -49.74 68.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 70.15 111.141 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.68 -37.47 68.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 74.11 110.876 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.06 -42.17 76.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 75.23 110.915 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.6 -34.62 76.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 72.42 111.12 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 78.9 mt -72.98 -33.09 42.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 75.53 111.157 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.65 -37.38 73.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 75.31 110.95 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 51.8 t -63.83 -42.9 97.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 75.41 111.081 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -69.33 -26.24 64.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 73.34 110.895 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -89.39 -8.14 53.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 71.33 110.93 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -139.76 70.53 36.98 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.609 0.719 . . . . 74.43 110.937 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 92.96 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.682 2.255 . . . . 73.44 112.361 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 m -124.45 126.72 46.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 65.53 110.867 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 62.45 171.98 0.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 73.31 110.874 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -102.64 -23.9 13.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 71.33 110.902 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -74.77 -14.38 81.48 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 64.14 112.492 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -69.65 -39.89 76.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.895 0.379 . . . . 71.21 110.884 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.24 -51.18 70.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 74.12 110.875 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.5 mtt -59.79 -30.17 68.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 71.14 110.886 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.5 m -70.53 -33.73 71.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 73.54 111.186 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 24.4 tp -62.79 -52.71 62.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 75.53 110.933 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 37.1 t -55.95 -40.49 73.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 63.31 110.848 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 78.5 mt -73.63 -23.81 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 75.11 111.149 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.4 t -76.56 -62.81 1.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 74.45 110.81 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.1 p -53.25 -31.14 17.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 54.1 111.118 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 32.5 tp -72.92 -45.06 60.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 73.32 110.896 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 29.3 tp -54.59 -43.34 72.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 73.32 110.842 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.67 -41.38 99.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 74.31 111.104 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.75 -57.52 11.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 74.31 110.918 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.5 p -59.27 -37.79 78.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.13 -0.486 . . . . 71.23 111.11 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.7 t -59.37 -48.62 86.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 74.32 111.16 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -53.16 -47.76 68.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 74.11 110.907 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.74 -59.12 4.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 74.25 110.928 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.86 -37.99 60.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 71.43 110.915 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.63 -65.7 0.52 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 73.33 110.932 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.9 mp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 73.31 111.157 179.82 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.892 0.377 . . . . 60.31 110.836 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 34.1 m -64.76 -31.52 54.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 64.11 111.15 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -73.75 -43.45 35.43 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.756 -0.735 . . . . 64.34 112.488 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -58.67 -54.08 51.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.87 0.367 . . . . 75.13 110.901 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -52.62 -47.32 67.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.12 -0.491 . . . . 74.44 110.931 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.86 -37.73 71.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.107 -0.497 . . . . 74.35 110.885 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -56.64 -48.43 77.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 75.31 110.87 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.53 -32.16 70.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 72.32 110.866 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 16.0 m -71.81 -36.12 70.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 54.25 111.167 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.1 mmt -57.55 -58.92 6.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 73.13 110.874 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 7.0 p -59.06 -36.57 63.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 53.24 111.099 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.59 -50.36 69.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 75.33 110.936 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 42.8 t -60.58 -41.76 89.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 72.31 111.125 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.2 m -55.22 -39.03 69.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 71.22 111.154 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.97 -42.02 97.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 75.33 110.943 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.62 -40.71 97.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 62.01 110.865 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 9.2 mm -56.74 -44.33 81.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 74.42 111.121 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 65.4 t -58.88 -43.77 89.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 73.42 111.154 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 27.3 m -69.89 -33.25 71.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 73.5 111.197 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.61 -44.43 77.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 72.21 110.881 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 14.3 t -75.52 -30.79 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 75.32 111.094 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.62 -42.17 98.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 71.11 110.883 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.6 t -78.87 -35.21 17.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.475 . . . . 62.24 111.097 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.4 tp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 73.25 110.937 179.955 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.516 -0.234 . . . . 73.54 112.516 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.2 -35.94 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.833 0.349 . . . . 74.34 111.18 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -57.98 -46.63 84.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 71.31 110.834 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -63.26 -32.64 74.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 75.23 110.863 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.3 mt -67.85 -43.02 80.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 73.42 110.924 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -66.68 -39.27 88.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 75.44 110.874 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.39 -44.07 75.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 75.43 110.921 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 5.8 t90 -57.02 -57.35 12.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 73.42 110.921 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 42.7 pt -56.71 -26.18 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.421 . . . . 74.25 111.14 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -79.51 -34.47 41.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 74.2 110.889 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 34.2 t -75.18 -38.22 41.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 72.32 111.135 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -64.87 -47.8 76.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 74.03 110.861 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 13.7 p -66.77 -28.82 44.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 74.53 111.162 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 44.2 t -72.74 -32.21 65.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 73.42 110.88 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 74.4 t -81.09 -61.07 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 74.23 111.088 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -60.64 -27.56 67.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 74.43 110.868 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -71.04 -53.34 10.93 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.76 -0.733 . . . . 62.03 112.455 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 28.5 m -64.0 -39.55 94.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.717 0.294 . . . . 73.31 111.133 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 70.0 mt -68.06 -24.8 30.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 72.31 111.147 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -70.95 -46.39 45.1 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.718 -0.753 . . . . 62.54 112.511 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 19.9 ptp -78.9 -22.13 46.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.735 0.302 . . . . 75.32 110.844 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -82.51 -44.73 15.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 74.5 110.859 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 73.41 110.946 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.7 p30 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.773 0.32 . . . . 75.23 110.9 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -112.89 138.27 49.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 71.32 111.105 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 -112.88 30.87 6.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 74.13 110.868 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 57.46 27.12 13.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 71.11 110.908 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.514 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.5 tt0 -53.08 -58.41 12.48 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.694 0.759 . . . . 74.33 110.922 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.1 Cg_endo -69.83 -28.47 24.87 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.656 2.238 . . . . 74.41 112.324 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.6 -15.32 60.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.447 . . . . 72.54 110.854 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -60.53 -27.81 67.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 72.02 110.886 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -74.92 -60.6 2.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 72.45 110.898 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.0 t -52.65 -40.91 63.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 72.23 111.105 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 11.6 mm -64.35 -44.34 97.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 73.14 111.119 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -68.87 -12.58 61.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 74.32 110.905 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.0 tt -88.96 -25.62 21.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.119 -0.491 . . . . 73.42 110.917 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.9 mt -79.26 -31.55 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 73.54 111.136 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.527 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 3.5 mt -51.89 -57.41 14.95 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.625 0.726 . . . . 73.54 111.125 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.6 Cg_endo -69.78 -36.21 11.16 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.699 2.266 . . . . 74.11 112.313 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.5 t -52.0 -57.5 9.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 73.44 110.858 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 23.5 t -62.76 -33.33 59.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 73.33 111.153 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 34.8 mt -64.96 -46.32 82.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 74.21 110.937 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.5 mt -52.83 -47.98 51.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 73.34 111.11 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 71.3 m -53.18 -50.5 64.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 73.22 111.131 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.27 -39.16 66.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 71.54 110.885 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.09 -41.38 71.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 72.04 110.878 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.96 -27.08 64.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 71.34 111.088 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 97.2 mt -80.51 -35.69 15.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 75.32 111.092 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.49 -36.7 85.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 73.33 110.913 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.9 t -70.88 -47.08 64.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 72.33 111.125 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -61.33 -23.56 65.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 75.42 110.886 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -84.78 -26.18 27.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 74.24 110.932 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 mp -116.07 71.69 4.33 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.666 0.746 . . . . 75.43 110.921 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 81.58 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.717 2.278 . . . . 64.5 112.372 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.8 p -124.1 127.29 47.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 71.24 110.858 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 t70 60.8 -177.19 0.11 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 75.24 110.823 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 18.9 m -111.08 -27.59 8.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 73.25 110.859 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.9 -24.11 62.25 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.744 . . . . 70.24 112.484 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -70.83 -36.7 73.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.893 0.378 . . . . 71.04 110.837 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -75.58 -36.13 60.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 73.43 110.909 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -68.96 -44.55 72.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 74.1 110.895 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 6.2 t -72.01 -24.99 61.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 71.35 111.158 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -64.77 -61.43 2.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 73.14 110.925 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -53.26 -48.14 68.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 71.54 110.859 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 58.9 mt -60.0 -35.41 60.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 75.35 111.115 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.0 m -68.37 -57.32 6.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 72.25 110.855 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.5 t -52.91 -34.12 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 72.44 111.133 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.6 tp -65.32 -43.56 90.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 75.33 110.919 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.55 -39.65 88.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 71.0 110.886 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.78 -44.87 86.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 61.53 111.063 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 26.1 tp -65.14 -51.97 57.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.437 . . . . 73.51 110.882 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.3 m -55.03 -44.75 74.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 71.12 111.127 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.5 t -58.77 -41.56 82.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 73.04 111.109 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -60.1 -43.77 95.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 75.23 110.882 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.1 tt -51.73 -59.18 4.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.488 . . . . 75.33 110.892 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.92 -37.41 60.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 74.13 110.899 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.9 -65.9 0.48 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 70.42 110.922 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.8 mp -71.72 -20.47 20.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 65.01 111.153 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.1 t -48.11 -41.68 27.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 73.02 110.859 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -95.59 -21.73 18.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.123 -0.49 . . . . 75.21 110.886 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 29.0 mm -97.55 67.42 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 62.23 111.133 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.5 t 64.93 75.07 0.37 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.606 0.717 . . . . 55.41 111.13 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 167.74 23.5 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.73 2.287 . . . . 74.35 112.307 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -17.76 37.3 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.663 2.242 . . . . 73.44 112.335 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 19.8 p -100.76 39.87 1.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 72.52 111.127 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 75.2 m -156.97 27.28 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 75.34 110.892 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.9 p -158.48 -177.67 6.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 65.51 110.862 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -103.92 -42.82 5.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 74.43 110.876 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 43.2 m -129.43 68.81 80.79 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.668 0.747 . . . . 72.54 110.829 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 153.79 68.47 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.692 2.261 . . . . 74.25 112.305 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 77.7 p -99.2 -33.22 10.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 72.33 110.884 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.1 p -58.01 -32.21 43.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 64.3 111.136 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -68.02 -35.08 83.27 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.766 -0.731 . . . . 71.42 112.47 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -54.66 -61.92 1.99 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.866 0.365 . . . . 70.53 110.926 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -59.37 -30.49 68.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 74.11 110.939 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -41.2 96.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.054 -0.521 . . . . 75.51 110.916 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.85 -56.11 17.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 75.54 110.823 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.93 -36.19 72.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.421 . . . . 73.44 110.902 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.3 m -71.96 -35.68 69.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 71.41 111.128 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.0 mmt -59.47 -57.0 14.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 62.44 110.907 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 29.2 m -58.16 -31.45 41.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 73.45 111.151 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.37 -46.3 60.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 74.05 110.944 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.0 t -56.26 -46.54 81.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 74.11 111.149 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.6 m -56.14 -44.18 78.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 71.2 111.17 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.84 -40.15 69.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 73.33 110.895 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 32.9 t -64.07 -43.92 93.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 71.24 110.862 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 51.7 mm -57.48 -37.88 60.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 73.41 111.116 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 9.8 t -59.36 -48.44 87.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 74.2 111.123 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 12.2 p -67.29 -39.94 86.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 73.22 111.136 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.94 -47.8 70.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 74.43 110.843 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 93.4 t -73.17 -40.7 58.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.5 . . . . 72.31 111.167 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 1.2 m -53.1 -30.95 39.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 74.53 110.89 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 92.4 t -86.73 -38.83 12.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 74.52 111.065 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.0 tp -53.94 -57.04 12.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 74.51 110.934 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -92.2 152.13 20.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 73.13 110.861 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 10.4 p -111.3 149.71 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 74.11 111.122 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -110.8 108.37 18.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 72.41 110.834 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 5.2 m170 -85.0 102.29 13.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 65.51 110.877 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.56 176.32 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 73.13 110.851 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -162.12 160.54 21.5 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.681 0.753 . . . . 74.11 110.829 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -38.1 8.31 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.643 2.229 . . . . 72.22 112.367 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -119.11 173.05 7.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 71.42 110.861 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.22 129.26 37.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.475 . . . . 74.22 111.184 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 27.3 m-70 -61.35 -172.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 74.32 110.865 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.9 m -123.67 105.36 9.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 72.31 111.112 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 100.3 -163.11 18.95 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.741 . . . . 72.52 112.469 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.8 133.92 0.33 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.74 . . . . 55.1 112.502 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -140.83 46.15 0.93 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 74.31 112.518 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 86.07 13.04 69.75 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.686 -0.769 . . . . 75.31 112.49 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -101.98 6.61 54.25 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.709 -0.758 . . . . 71.22 112.505 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.21 -35.97 16.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.811 0.339 . . . . 75.11 111.136 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -68.09 -52.92 29.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 75.3 110.891 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.7 -26.04 66.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 75.11 110.864 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.96 -49.15 66.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 75.35 110.918 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.01 -24.59 66.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 74.53 110.822 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.87 -44.94 75.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 74.12 110.918 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -79.63 -42.15 25.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 73.41 110.934 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 1.1 tt -56.32 -24.61 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 64.42 111.165 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -81.11 -59.21 2.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 73.51 110.842 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 47.8 t -54.46 -27.05 16.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 73.43 111.123 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.82 -58.78 3.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 74.24 110.889 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 8.4 p -59.31 -23.61 25.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 72.0 111.1 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 5.2 m -78.0 -43.31 29.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 75.31 110.906 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 24.6 t -58.53 -34.23 50.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 71.43 111.136 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -76.76 -45.69 28.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 71.13 110.87 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -64.55 -52.48 42.78 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 74.4 112.476 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 70.1 p -56.71 -47.69 79.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.801 0.334 . . . . 61.5 111.176 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 29.4 mt -66.82 -32.79 59.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 75.01 111.109 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -54.38 -50.14 57.64 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.668 -0.777 . . . . 75.24 112.507 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 20.7 ptp -80.03 -20.0 46.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.847 0.356 . . . . 75.12 110.889 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -81.14 -16.26 53.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 73.04 110.86 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -85.21 1.08 49.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 74.52 110.961 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.512 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 2.5 tt0 -52.61 -58.42 11.96 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.606 0.717 . . . . 74.12 110.972 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 131' ' ' GLN . 53.1 Cg_endo -69.84 150.99 68.45 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.647 2.231 . . . . 74.31 112.342 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -66.86 -26.36 66.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 73.4 110.942 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -174.77 -178.22 1.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 64.43 110.866 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -71.42 -18.81 62.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 74.1 110.925 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -108.46 63.61 0.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 73.5 110.886 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 71.0 110.863 -179.924 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.0 m120 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.849 0.357 . . . . 73.1 110.896 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -113.27 133.08 55.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 75.12 111.077 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -124.77 48.22 2.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 74.13 110.898 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -97.22 -21.23 17.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 75.33 110.905 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.504 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 5.2 tt0 -55.06 -58.42 14.87 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.628 0.728 . . . . 73.23 110.909 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.4 Cg_endo -69.81 -40.14 5.59 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.655 2.237 . . . . 74.02 112.35 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.93 -15.73 63.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 72.43 110.885 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -60.37 -25.12 65.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 74.24 110.852 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -77.73 -60.79 2.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 71.14 110.926 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.9 t -52.38 -40.84 62.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 74.11 111.14 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.2 mm -62.52 -42.34 95.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 74.31 111.124 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -66.52 -15.48 63.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 64.44 110.925 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.69 -24.15 22.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 70.01 110.92 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 46.6 mm -78.71 -32.46 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 75.41 111.127 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.531 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 1.6 mm -51.85 -57.51 14.54 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.62 0.724 . . . . 70.32 111.098 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 54.2 Cg_endo -69.73 -33.48 16.63 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.689 2.259 . . . . 62.24 112.353 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 44.3 t -52.05 -55.76 18.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 72.23 110.922 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 18.4 m -74.88 -22.81 17.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 72.13 111.128 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.6 tt -68.24 -46.12 71.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 75.32 110.898 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 5.4 mt -65.72 -43.49 93.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 75.34 111.134 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.3 m -59.9 -48.66 80.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 63.44 111.092 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 p -56.17 -39.03 71.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 73.15 110.896 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.4 mt -59.54 -45.59 91.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 74.21 110.932 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.02 -29.47 69.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 71.43 111.069 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 53.2 mt -72.3 -38.64 62.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 73.43 111.18 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 mt -60.86 -48.16 83.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 65.12 110.903 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 36.6 t -58.55 -38.04 68.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 64.23 111.151 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -73.51 -25.99 60.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 75.12 110.859 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -85.55 -15.82 41.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.195 -0.457 . . . . 73.33 110.963 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.2 mp -111.56 160.66 28.64 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.608 0.718 . . . . 75.42 110.946 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 97.15 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.739 2.293 . . . . 73.12 112.344 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.44 94.97 1.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 63.34 110.864 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -130.75 21.55 5.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 75.22 110.913 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.35 -20.24 57.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 64.0 110.887 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 140.05 -10.25 3.06 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.76 -0.733 . . . . 72.3 112.502 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.94 -30.04 32.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.855 0.36 . . . . 63.24 110.863 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.26 -54.73 41.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 74.31 110.94 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.6 mtm -57.81 -47.51 82.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 70.44 110.897 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 54.6 m -58.27 -27.62 64.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 73.54 111.176 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.7 tt -76.32 -37.69 57.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 73.14 110.911 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -56.61 -42.2 78.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 72.12 110.866 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 98.2 mt -69.6 -40.41 79.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 73.23 111.121 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 54.2 m -60.68 -53.26 59.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 65.43 110.853 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.1 t -53.35 -41.98 46.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 73.43 111.135 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.4 tp -69.25 -37.65 78.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 75.25 110.934 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.16 -51.67 68.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 72.15 110.951 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.09 -36.93 73.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 61.44 111.099 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.2 tp -64.29 -43.41 94.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 73.21 110.926 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.58 -34.93 71.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 72.01 111.134 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 42.3 t -61.51 -61.6 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 74.32 111.137 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -62.61 -37.42 86.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 71.24 110.907 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.8 tp -57.51 -52.96 63.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 73.04 110.867 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.8 tp -57.36 -38.12 73.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 75.1 110.935 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.11 -62.33 1.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 73.52 110.917 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.7 mp -55.6 -34.66 36.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 74.33 111.115 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.58 -48.5 66.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 75.13 110.887 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.74 -21.54 62.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.498 . . . . 73.53 110.885 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 13.9 mt 65.94 108.46 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 74.45 111.158 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -157.45 69.26 4.23 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.611 0.72 . . . . 64.32 111.096 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 167.8 23.43 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.634 2.223 . . . . 73.41 112.36 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -9.09 25.25 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.66 2.24 . . . . 73.32 112.329 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 72.2 p -144.1 109.99 5.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 74.32 111.165 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.5 m -59.67 99.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 72.41 110.866 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.8 p -136.45 -176.78 4.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 74.3 110.861 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -113.6 31.59 6.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.494 . . . . 71.21 110.86 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.0 m -132.35 68.83 80.04 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.722 0.773 . . . . 74.33 110.849 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 133.03 24.52 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.739 2.293 . . . . 74.53 112.299 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.67 -1.18 7.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 74.11 110.844 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.9 m -70.19 -22.54 24.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 64.33 111.142 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -73.64 -32.47 59.37 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.733 -0.746 . . . . 74.11 112.456 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -62.7 -58.8 6.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.877 0.37 . . . . 65.25 110.906 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -60.3 -37.98 82.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 72.22 110.926 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 25.1 tp -62.92 -39.49 94.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.499 . . . . 75.23 110.886 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 7.1 tpp -56.13 -53.41 57.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 75.2 110.893 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.11 -26.38 65.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 73.3 110.873 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.0 m -69.64 -40.62 76.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 72.22 111.11 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -68.96 -30.17 68.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 74.42 110.892 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 5.6 t -70.83 -51.78 33.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 73.04 111.145 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.63 -46.04 84.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 75.23 110.9 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.3 t -59.1 -40.32 80.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 72.05 111.097 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.4 m -59.52 -40.43 87.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 74.41 111.199 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -63.66 -42.14 98.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 74.22 110.925 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.09 -56.29 23.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 65.53 110.859 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 27.4 mm -52.65 -43.39 43.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 70.41 111.093 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 42.6 t -54.38 -39.74 45.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 65.24 111.085 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.75 -30.31 61.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 70.11 111.133 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 75.3 m -67.04 -51.0 60.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 61.44 110.895 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 38.4 t -59.87 -36.16 64.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 72.24 111.115 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 1.2 m -60.73 -43.71 97.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 74.3 110.897 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 69.7 t -56.14 -50.81 68.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 71.21 111.113 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -60.24 -33.24 72.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 75.03 110.912 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 61.6 m-20 -90.24 90.62 8.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 71.14 110.9 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 12.6 p -125.9 143.91 37.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 74.25 111.105 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -155.4 -54.7 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 74.43 110.838 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 60.03 97.35 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 75.32 110.836 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.03 110.75 2.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 73.32 110.913 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.5 160.52 48.01 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.662 0.744 . . . . 74.42 110.859 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -38.45 7.86 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.679 2.253 . . . . 75.11 112.38 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -131.95 157.42 44.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 75.5 110.899 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 36.4 p -127.67 108.77 11.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 73.33 111.151 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -130.74 9.61 5.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 72.43 110.828 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.25 142.66 24.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 74.03 111.113 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -83.41 -156.83 23.07 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.692 -0.766 . . . . 65.15 112.502 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -151.62 -157.74 8.04 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.72 -0.752 . . . . 60.23 112.497 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 168.09 165.12 24.95 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.698 -0.763 . . . . 65.01 112.471 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -90.4 -172.99 44.59 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.706 -0.759 . . . . 74.13 112.478 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 105.92 -15.67 44.03 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 22.23 112.487 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.21 -35.95 16.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.837 0.351 . . . . 74.22 111.132 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -70.86 -53.11 16.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 71.52 110.846 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -26.58 62.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 74.14 110.869 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 31.4 mt -73.6 -54.04 9.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 74.35 110.928 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -60.87 -32.6 72.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 73.42 110.847 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -71.42 -46.28 60.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 73.43 110.913 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 8.0 t90 -57.22 -55.66 31.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 75.13 110.92 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 26.1 pt -59.58 -25.62 32.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 75.21 111.092 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -74.98 -37.38 61.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 71.24 110.868 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 41.1 t -67.55 -29.36 45.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 71.54 111.142 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -71.09 -55.57 7.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 71.13 110.844 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 10.5 p -61.52 -33.57 57.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 72.03 111.14 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -68.91 -55.53 10.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 74.01 110.87 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 70.8 t -63.28 -48.39 87.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 64.52 111.137 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -62.28 -38.59 89.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 64.23 110.826 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -70.03 -57.9 6.62 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.746 . . . . 60.31 112.471 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 38.0 p -54.93 -59.5 4.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.79 0.328 . . . . 74.33 111.175 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 49.8 mm -56.3 -31.83 33.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 73.25 111.11 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -54.63 -55.39 27.53 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.708 -0.758 . . . . 74.11 112.467 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 21.9 ptp -82.12 -22.14 36.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.804 0.335 . . . . 75.44 110.894 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -72.51 -22.32 61.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 75.35 110.89 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.2 2.7 45.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.148 -0.478 . . . . 73.25 110.928 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.512 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 1.8 tt0 -53.11 -58.5 12.15 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.625 0.726 . . . . 73.25 110.89 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 131' ' ' GLN . 53.5 Cg_endo -69.73 150.92 69.06 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.704 2.269 . . . . 63.52 112.353 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -66.94 -26.33 66.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 71.21 110.913 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -174.65 -179.2 1.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 73.24 110.877 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -67.14 -20.11 65.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 75.31 110.87 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -104.01 56.12 0.73 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 75.43 110.91 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 65.32 110.898 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.6 p30 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.822 0.344 . . . . 72.31 110.894 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.59 167.85 6.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 74.2 111.109 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -112.23 5.41 18.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 75.51 110.866 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -108.55 -14.46 14.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 73.52 110.86 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.511 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 1.8 tt0 -63.34 -58.48 15.55 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.637 0.732 . . . . 72.51 110.854 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.6 Cg_endo -69.74 -18.9 36.83 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.664 2.243 . . . . 72.31 112.36 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.26 -16.16 53.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 74.54 110.913 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -58.75 -23.31 59.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 70.41 110.866 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -79.29 -60.65 2.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 74.51 110.904 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.7 t -52.18 -40.52 61.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 73.03 111.16 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 91.1 mt -63.16 -43.9 99.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 75.51 111.151 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -67.71 -14.2 62.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 73.33 110.907 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.92 -24.36 22.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.473 . . . . 73.21 110.894 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.3 mp -78.73 -32.19 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 72.21 111.132 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.523 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 3.7 mt -51.97 -57.5 14.72 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.622 0.725 . . . . 75.52 111.107 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.5 Cg_endo -69.77 -33.64 16.16 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.689 2.259 . . . . 74.22 112.319 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.0 t -53.05 -58.72 6.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 74.24 110.878 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 58.2 t -62.86 -45.88 97.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 75.4 111.16 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.5 mt -53.95 -43.0 69.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 74.13 110.952 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.6 mt -55.77 -47.26 79.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 72.11 111.193 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.9 m -58.02 -53.67 55.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 71.4 111.122 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 t -52.81 -39.36 62.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 74.33 110.863 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.73 -42.61 71.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 73.12 110.908 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.95 -32.03 72.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 72.12 111.085 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.8 mt -73.02 -51.27 27.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 74.23 111.156 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.4 mt -52.75 -31.06 36.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 72.42 110.938 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.1 t -70.69 -43.88 77.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 62.12 111.169 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -74.43 -25.63 59.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 71.51 110.882 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -80.99 -30.83 34.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 75.42 110.988 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -123.24 69.87 41.41 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.631 0.729 . . . . 72.05 110.893 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 85.38 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.703 2.269 . . . . 71.1 112.366 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.9 p -109.06 -35.65 6.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.424 . . . . 71.22 110.869 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -124.25 127.69 48.06 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.177 -0.465 . . . . 75.32 110.903 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 13.3 t -75.74 -26.49 57.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 64.3 110.899 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -79.43 -7.48 88.45 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.752 -0.737 . . . . 64.22 112.426 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -71.57 -28.65 63.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.903 0.382 . . . . 64.32 110.874 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.2 mptt -62.13 -45.36 93.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 73.54 110.884 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.6 mmm -64.52 -48.08 76.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 73.24 110.874 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 71.8 p -56.48 -34.71 67.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 63.41 111.162 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.98 -48.45 73.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 71.12 110.904 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 8.7 t -54.45 -33.32 59.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 70.03 110.897 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 9.0 mt -76.39 -42.03 36.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 74.51 111.14 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.56 -53.8 36.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 65.21 110.883 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.2 p -58.03 -32.85 44.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 74.22 111.148 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.68 -41.21 54.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 75.12 110.926 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.6 tp -59.7 -51.23 70.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 74.43 110.974 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.17 -50.63 66.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 71.43 111.081 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 54.1 mt -62.64 -26.88 68.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 72.51 110.93 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 99.1 m -81.23 -26.75 35.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 75.34 111.123 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.7 t -65.83 -60.61 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 71.22 111.143 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -63.69 -38.41 91.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 74.44 110.897 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 23.8 tp -53.61 -54.87 31.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 75.34 110.931 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.58 -34.03 66.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 73.05 110.943 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.11 -57.38 9.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 73.33 110.973 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.7 mp -79.03 -23.81 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 74.44 111.118 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.5 t -52.16 -33.16 39.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 64.15 110.833 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.52 -50.0 5.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 73.21 110.93 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 25.6 mm -149.84 131.87 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 74.42 111.169 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.1 m -51.08 156.26 1.85 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.606 0.717 . . . . 73.11 111.187 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 167.73 23.66 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.683 2.255 . . . . 74.32 112.365 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -9.08 25.23 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.668 2.245 . . . . 71.25 112.342 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 44.5 p -53.14 -45.55 68.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 74.32 111.188 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.17 148.09 19.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 73.41 110.877 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.9 t -99.05 -36.8 9.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 73.23 110.909 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.48 131.84 54.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 73.54 110.812 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.1 t 61.91 71.81 0.71 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.7 0.762 . . . . 74.35 110.891 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 173.42 10.99 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.741 2.294 . . . . 74.3 112.351 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.8 m -129.03 16.17 6.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 64.12 110.844 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 10.6 p -64.52 -33.36 62.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 74.11 111.139 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -63.47 -39.06 97.28 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.776 -0.726 . . . . 73.2 112.444 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.33 -52.89 62.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.844 0.354 . . . . 74.52 110.866 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -68.35 -40.14 81.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 75.45 110.968 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 11.7 tp -57.15 -46.09 83.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 73.32 110.937 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 1.5 ttt -57.75 -53.04 62.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 75.54 110.864 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -61.7 -32.45 72.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 73.42 110.906 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.5 m -69.0 -51.6 37.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 71.43 111.148 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.9 mmt -57.29 -42.34 81.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 74.52 110.878 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 40.7 t -54.46 -57.87 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 75.25 111.126 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.71 -42.09 96.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 71.44 110.887 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 24.8 t -55.05 -51.33 55.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 70.52 111.165 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.2 m -51.88 -45.16 64.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 73.41 111.13 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -68.6 -45.13 72.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 74.05 110.845 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.75 -47.67 70.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 63.12 110.859 -179.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 29.3 mm -61.1 -41.06 87.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 74.21 111.107 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 54.8 t -60.82 -43.85 96.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 74.24 111.117 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.29 -33.93 65.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 75.42 111.148 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.75 -61.35 2.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 74.4 110.859 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 34.8 m -65.23 -22.19 30.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 75.41 111.114 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 8.6 t -69.0 -31.17 69.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 64.11 110.848 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 37.1 t -89.36 -35.58 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 73.41 111.124 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.4 tp -61.94 -35.15 77.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 73.25 110.895 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -162.82 179.8 7.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 73.22 110.848 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.5 p -102.15 151.46 5.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 74.54 111.105 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -150.88 125.95 9.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 73.3 110.859 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 58.07 77.39 0.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 70.53 110.856 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.03 -176.8 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 75.03 110.9 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.99 160.56 43.17 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.67 0.748 . . . . 62.21 110.851 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -40.18 5.58 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.695 2.264 . . . . 52.35 112.307 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -160.82 176.7 11.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 74.42 110.865 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 36.0 p -93.47 120.4 33.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 74.22 111.152 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -53.37 -56.69 14.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.464 . . . . 71.31 110.86 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.7 m 57.42 61.52 2.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 74.41 111.17 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 87.31 -59.51 4.42 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.739 -0.743 . . . . 64.3 112.471 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 167.38 106.43 0.19 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.76 -0.733 . . . . 61.14 112.507 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 175.63 -157.73 24.32 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.787 -0.72 . . . . 62.23 112.537 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 129.29 -68.99 0.54 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.743 -0.741 . . . . 52.52 112.491 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 84.0 9.2 82.89 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.692 -0.766 . . . . 73.24 112.502 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.2 -35.99 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.83 0.348 . . . . 74.14 111.122 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -67.71 -55.39 13.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 73.04 110.863 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -29.48 67.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 74.14 110.879 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.0 mt -64.41 -56.08 16.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 75.11 110.923 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.25 -24.6 64.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 75.42 110.879 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.25 -43.37 78.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 71.55 110.926 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -80.21 -42.38 23.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 74.22 110.906 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 1.1 tt -56.32 -24.74 18.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.27 -0.423 . . . . 65.13 111.124 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.13 -59.24 2.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 74.22 110.842 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 65.7 t -52.53 -29.43 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 74.22 111.162 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -69.52 -61.33 1.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 74.02 110.88 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 9.3 p -60.88 -30.48 47.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 74.3 111.109 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.52 -46.13 77.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 73.02 110.907 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 19.5 t -68.25 -37.94 78.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 74.24 111.136 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -62.23 -55.78 25.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 74.11 110.864 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -63.38 -47.47 87.28 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.726 -0.749 . . . . 65.41 112.52 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.8 m -58.14 -58.82 6.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.774 0.321 . . . . 73.32 111.185 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 17.8 mm -57.04 -30.26 33.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 73.01 111.118 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -56.58 -56.76 22.93 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.736 -0.745 . . . . 73.12 112.467 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 11.4 ptp -80.41 -24.0 39.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 74.1 110.888 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -70.99 -14.19 62.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 75.51 110.875 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.98 -9.54 59.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 74.34 110.911 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.514 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 2.7 tt0 -52.37 -58.41 11.76 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.541 0.686 . . . . 75.31 110.928 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 131' ' ' GLN . 54.1 Cg_endo -69.76 150.92 68.83 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.706 2.271 . . . . 72.14 112.351 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -66.86 -26.36 66.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 73.52 110.939 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -177.93 -177.59 0.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 74.32 110.873 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -67.13 -28.88 68.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 75.43 110.923 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -92.41 51.51 1.77 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 71.13 110.866 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 73.14 110.896 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.849 0.357 . . . . 75.23 110.917 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -164.31 43.96 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 75.24 111.062 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -102.76 32.03 3.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 74.32 110.87 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -92.76 7.91 41.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 70.51 110.923 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.512 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 1.6 tt0 -54.51 -58.44 14.07 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.635 0.731 . . . . 71.33 110.88 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.7 Cg_endo -69.79 -28.98 24.44 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.676 2.251 . . . . 63.22 112.298 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.48 -16.31 63.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.261 -0.427 . . . . 65.41 110.929 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -61.23 -21.08 63.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 72.15 110.864 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -78.57 -60.89 2.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 74.14 110.951 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.2 t -53.67 -40.68 66.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.506 . . . . 63.54 111.14 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 84.0 mt -63.2 -41.27 92.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 73.45 111.12 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -70.71 -11.17 60.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 70.54 110.885 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.01 -27.53 20.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 75.11 110.934 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 40.2 mm -79.3 -30.67 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 75.23 111.11 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.531 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 2.4 mt -51.76 -57.43 14.74 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.653 0.74 . . . . 75.31 111.167 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.5 Cg_endo -69.79 -37.9 8.47 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.679 2.252 . . . . 75.14 112.329 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -52.6 -49.28 65.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 74.21 110.87 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 49.2 t -67.09 -44.25 88.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 73.55 111.135 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -57.29 -41.26 79.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 71.32 110.926 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.5 mt -57.5 -46.89 85.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 75.0 111.141 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.0 m -63.91 -52.96 57.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 73.45 111.11 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.21 -36.18 60.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 73.24 110.878 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.85 -43.88 97.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 74.12 110.935 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.17 -32.82 73.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 74.43 111.069 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 63.4 mt -72.9 -40.91 60.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 75.23 111.124 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -66.07 -41.38 90.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 73.41 110.954 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.1 t -56.71 -54.73 25.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 74.41 111.139 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -57.37 -28.65 63.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 74.32 110.892 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -81.18 -24.98 37.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 75.31 110.924 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 mp -119.9 68.68 12.6 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.62 0.724 . . . . 73.54 110.893 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 80.55 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.64 2.227 . . . . 74.43 112.36 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.59 -32.84 58.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 75.14 110.894 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -165.97 173.76 10.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 64.12 110.834 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 59.5 m -82.9 -22.49 33.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 74.34 110.853 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -78.42 -18.32 76.19 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.799 -0.715 . . . . 74.35 112.505 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -53.68 -39.86 65.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.961 0.41 . . . . 73.24 110.892 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -57.28 -42.67 82.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 74.24 110.899 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.16 -39.82 83.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 72.32 110.91 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.7 m -63.49 -37.22 86.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 64.11 111.198 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.1 tp -70.44 -34.31 72.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 74.01 110.903 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 51.8 t -59.06 -41.08 87.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 70.11 110.888 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.9 mt -71.72 -36.47 59.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 72.1 111.144 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.5 t -68.07 -54.5 17.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 73.3 110.874 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -60.98 -22.97 28.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 75.32 111.111 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.04 -49.63 55.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 73.4 110.905 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.5 mp -58.42 -34.2 70.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 75.22 110.895 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.94 -52.71 64.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 64.05 111.123 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.32 -34.76 66.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 74.44 110.919 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.1 -32.59 74.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 74.24 111.13 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 36.9 t -64.62 -48.09 86.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 72.33 111.146 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -55.02 -45.28 75.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 74.21 110.873 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.37 -58.43 8.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 74.01 110.965 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.4 tp -53.22 -33.63 53.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 72.45 110.924 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.23 -59.44 4.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 73.35 110.921 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.0 mp -76.92 -24.38 15.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 63.34 111.143 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.4 p -52.08 -32.95 37.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 72.43 110.848 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -93.24 -49.81 5.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 71.2 110.927 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 29.7 mm -150.82 130.79 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 75.2 111.088 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.1 m -51.16 156.24 1.93 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.591 0.71 . . . . 65.35 111.178 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 167.75 23.51 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.671 2.247 . . . . 75.22 112.341 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -21.27 33.72 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.668 2.245 . . . . 73.31 112.364 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.7 m -85.04 55.42 3.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 73.41 111.157 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.5 m -61.05 -69.27 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 62.34 110.857 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 62.33 177.99 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 64.03 110.85 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -69.87 -43.01 72.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.108 -0.497 . . . . 73.55 110.888 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.77 160.57 30.99 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.656 0.741 . . . . 75.42 110.912 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 121.49 8.18 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.727 2.285 . . . . 74.25 112.309 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.7 t -96.13 -29.07 14.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.435 . . . . 63.15 110.851 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.9 m -59.7 -32.6 49.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 74.11 111.149 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -80.21 -39.43 15.84 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.775 -0.726 . . . . 64.24 112.468 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.45 -62.0 2.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.833 0.349 . . . . 75.34 110.894 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -56.26 -45.94 79.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 74.04 110.937 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 31.4 tp -58.5 -31.13 67.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 75.1 110.926 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 2.7 tpt -61.38 -52.41 64.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 74.21 110.908 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -67.54 -25.8 65.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 74.34 110.885 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 4.8 m -72.9 -32.8 65.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.111 -0.495 . . . . 50.11 111.135 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 7.9 mmt -71.83 -55.41 7.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 73.34 110.823 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 6.7 p -52.35 -35.43 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 65.4 111.165 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.9 mt -69.63 -53.13 20.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 73.35 110.906 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 97.0 t -54.77 -33.68 28.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 74.42 111.101 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 72.6 m -64.29 -44.29 92.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 75.15 111.165 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -62.74 -33.33 74.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 73.33 110.883 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.5 t -63.14 -45.3 92.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 64.34 110.851 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 26.3 mm -61.64 -38.22 79.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 73.44 111.151 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 69.0 t -61.28 -46.87 95.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 74.2 111.117 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 25.4 p -71.09 -30.98 67.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 74.23 111.139 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.3 t -59.37 -53.03 62.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 53.41 110.894 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 59.5 t -61.45 -36.29 72.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 74.33 111.1 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -53.42 -48.51 68.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 74.52 110.893 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 94.6 t -69.82 -27.05 31.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 73.14 111.148 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.2 tp -54.76 -61.64 2.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 75.13 110.913 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -178.7 134.4 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 73.54 110.874 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 13.5 p -118.01 141.64 36.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 74.03 111.186 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -158.76 146.68 18.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 64.43 110.827 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -134.53 123.5 24.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 74.11 110.859 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 24.4 mtm180 -88.47 102.92 15.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 75.33 110.883 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -167.05 160.59 11.0 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.614 0.721 . . . . 75.23 110.871 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -36.45 10.95 Favored 'Trans proline' 0 C--N 1.34 0.109 0 C-N-CA 122.717 2.278 . . . . 73.14 112.352 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -109.16 123.94 50.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 74.42 110.898 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 6.5 p -137.18 159.06 43.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 74.13 111.164 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 8.9 p80 -115.43 163.07 16.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 72.44 110.882 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.6 m -145.71 55.14 1.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 74.14 111.178 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 154.01 122.67 0.87 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.789 -0.719 . . . . 73.53 112.538 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 141.67 148.75 5.09 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.738 -0.744 . . . . 64.54 112.492 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 90.9 160.63 36.72 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.776 -0.726 . . . . 72.01 112.482 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 166.92 148.04 5.46 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 74.51 112.477 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 105.33 -12.73 48.0 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.716 -0.754 . . . . 65.43 112.47 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.17 -35.98 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.84 0.352 . . . . 74.52 111.162 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -74.58 -55.53 5.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 73.31 110.864 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.43 -30.23 39.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 74.34 110.883 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 18.4 mt -69.72 -42.13 74.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.147 -0.479 . . . . 72.3 110.932 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -75.01 -23.74 58.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 74.45 110.906 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.8 -43.28 25.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.099 -0.5 . . . . 74.23 110.883 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -60.2 -50.87 71.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.24 -0.436 . . . . 74.35 110.963 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 2.4 pp -63.5 -31.45 52.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 73.4 111.124 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.57 -51.13 63.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 72.51 110.878 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 24.3 t -66.6 -36.6 77.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 75.25 111.108 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -54.86 -56.76 15.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 72.32 110.849 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.6 p -65.7 -30.15 49.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 75.35 111.111 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 2.0 t -66.42 -44.84 81.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 73.23 110.882 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 9.3 t -65.11 -38.42 82.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 64.21 111.126 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -65.61 -44.75 85.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 71.43 110.841 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -73.56 -48.59 17.34 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.752 -0.737 . . . . 71.33 112.477 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 10.0 m -53.01 -55.44 23.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.77 0.319 . . . . 74.43 111.117 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 38.0 mm -71.69 -22.59 21.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 74.34 111.136 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -58.55 -40.63 94.78 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.704 -0.76 . . . . 74.33 112.483 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 5.2 mmt -84.86 -30.92 24.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.765 0.317 . . . . 74.2 110.866 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -76.01 -14.22 60.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 75.2 110.896 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 1.9 tt -84.51 -10.18 57.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.497 . . . . 63.32 110.919 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.502 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 1.5 tt0 -53.51 -58.53 12.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.632 0.729 . . . . 73.23 110.878 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 131' ' ' GLN . 53.6 Cg_endo -69.72 150.89 69.06 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.715 2.277 . . . . 75.11 112.354 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -66.85 -26.32 66.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 73.34 110.927 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -169.04 -176.87 2.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 71.33 110.853 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -65.12 -30.06 70.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 75.42 110.879 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 58.45 82.18 0.14 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 74.41 110.902 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 74.34 110.931 -179.955 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.812 0.339 . . . . 75.33 110.891 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.34 95.2 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 74.41 111.059 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -119.29 45.64 2.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 73.43 110.89 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -83.32 -12.63 56.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 75.55 110.854 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.513 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 5.1 tt0 -64.02 -58.43 14.56 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.645 0.736 . . . . 65.32 110.896 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.513 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.5 Cg_endo -69.71 -20.66 34.76 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.702 2.268 . . . . 64.22 112.335 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.06 -15.44 47.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 72.33 110.929 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -77.17 -25.01 51.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 75.22 110.875 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -70.79 -54.19 12.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 73.54 110.933 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.2 t -57.49 -39.45 76.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 73.02 111.104 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 66.3 mt -63.22 -34.52 67.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 70.43 111.131 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -77.01 -15.65 59.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 72.44 110.925 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.93 -27.55 20.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 75.2 110.95 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.4 mt -79.44 -30.73 13.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 74.03 111.082 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.524 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 1.5 mm -51.69 -57.49 14.43 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.634 0.73 . . . . 75.23 111.156 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.524 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.6 Cg_endo -69.77 -38.21 8.09 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.684 2.256 . . . . 73.35 112.349 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.2 t -52.03 -58.65 5.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 72.51 110.9 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 20.4 t -62.91 -47.51 92.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 73.21 111.115 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.9 mt -51.95 -42.23 62.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 72.43 110.92 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 6.1 mt -57.0 -48.32 81.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 72.4 111.149 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 75.3 m -62.9 -54.74 33.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 75.14 111.124 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.66 -46.56 67.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 72.01 110.877 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.3 mt -53.25 -37.4 62.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.496 . . . . 74.42 110.908 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.75 -33.87 64.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 73.0 111.109 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 86.9 mt -71.67 -50.87 36.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 74.41 111.132 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 67.1 mt -54.59 -41.74 70.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 74.32 110.907 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 5.0 t -57.6 -45.89 86.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 75.41 111.128 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -75.77 -23.94 55.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 74.2 110.889 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -81.23 -19.37 43.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 72.43 110.9 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.29 69.8 51.89 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.556 0.693 . . . . 74.34 110.928 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 83.69 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.669 2.246 . . . . 63.21 112.331 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -98.19 -176.48 3.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 60.32 110.879 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.29 35.36 3.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.125 -0.489 . . . . 62.15 110.846 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 m -105.31 -23.77 12.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.445 . . . . 65.3 110.914 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 105.97 34.62 3.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 61.34 112.469 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.97 -25.36 65.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.952 0.406 . . . . 75.04 110.912 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -63.4 -58.41 7.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 73.33 110.878 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.5 mmt -61.01 -36.2 78.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 75.02 110.895 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 56.0 m -63.02 -34.1 76.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 73.44 111.117 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.9 tp -65.39 -45.48 83.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.262 -0.426 . . . . 71.35 110.947 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.7 t -54.05 -42.28 69.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 73.33 110.885 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 85.2 mt -76.26 -31.32 20.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 74.35 111.094 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.0 t -64.92 -58.48 6.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 63.33 110.891 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.1 t -54.39 -47.39 69.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 75.1 111.109 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.38 -47.08 79.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 71.14 110.955 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.6 tp -54.5 -39.93 68.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 72.41 110.944 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.52 -46.47 80.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 62.34 111.09 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.2 tt -54.55 -45.1 73.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 74.23 110.903 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.9 -35.9 71.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 73.41 111.104 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.7 t -59.37 -45.68 93.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 74.15 111.159 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -56.69 -44.14 81.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 70.34 110.892 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.9 tt -51.86 -59.09 4.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 73.31 110.913 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.03 -34.47 65.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 72.13 110.912 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.65 -64.73 0.72 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 74.4 110.932 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.1 mp -72.78 -25.73 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 73.25 111.106 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 33.4 t -51.86 -30.58 24.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 75.23 110.875 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -92.84 -50.07 5.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 74.35 110.906 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.3 mp -150.21 133.69 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 75.13 111.143 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -88.97 154.93 49.99 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.581 0.705 . . . . 65.55 111.193 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 167.76 23.59 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.652 2.234 . . . . 73.54 112.308 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -40.78 4.91 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.635 2.223 . . . . 74.13 112.361 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.9 p 51.77 32.63 9.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 72.54 111.134 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.2 t -55.75 -25.97 43.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 73.23 110.847 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.61 171.59 0.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 65.43 110.833 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -59.28 -63.3 1.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 70.0 110.832 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.21 160.59 57.0 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.644 0.735 . . . . 74.23 110.893 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -175.44 1.17 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.673 2.249 . . . . 75.43 112.294 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.28 -60.91 0.89 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 71.23 110.861 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 30.7 m -55.6 -34.52 35.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.109 -0.496 . . . . 72.11 111.141 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.05 -51.73 4.6 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.725 -0.75 . . . . 55.13 112.471 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.53 -44.82 65.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.902 0.382 . . . . 75.25 110.878 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -64.9 -43.07 94.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 74.42 110.9 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.31 -42.46 70.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.495 . . . . 74.42 110.868 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 2.2 ttp -61.35 -50.19 73.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 64.41 110.868 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -62.72 -34.13 76.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 64.15 110.914 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 9.6 m -72.13 -34.42 68.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 73.42 111.13 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -61.84 -48.23 81.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 73.41 110.893 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 4.8 p -69.79 -28.24 36.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 75.3 111.13 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.05 -43.37 58.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 73.33 110.9 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 25.1 t -65.4 -46.93 88.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 74.23 111.089 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 33.6 m -52.74 -52.18 57.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 73.42 111.134 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -68.79 -30.04 68.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 75.24 110.881 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.3 m -62.19 -53.51 54.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 73.33 110.85 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 17.4 mm -54.28 -49.31 64.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 72.31 111.101 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 11.3 t -51.82 -58.25 2.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 64.45 111.168 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.89 -29.7 65.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 74.33 111.154 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.47 -60.23 2.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 62.21 110.869 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.72 -32.44 51.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 75.31 111.115 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 2.3 m -59.39 -41.31 89.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 60.12 110.864 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.9 t -74.93 -33.19 29.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 74.31 111.155 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.89 -66.73 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 74.21 110.946 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -158.27 159.83 36.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 63.23 110.883 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.2 p -171.56 141.07 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 74.22 111.117 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -148.78 107.81 3.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 71.11 110.889 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -105.98 131.77 52.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 74.13 110.869 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.13 151.42 24.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 74.32 110.876 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -161.08 160.54 24.56 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.675 0.75 . . . . 74.25 110.848 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 -39.37 6.71 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.693 2.262 . . . . 74.22 112.35 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.93 137.38 46.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 70.4 110.914 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 20.8 p -69.56 99.41 1.27 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 74.41 111.157 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -90.48 178.71 6.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 74.2 110.856 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 13.3 p -54.55 165.49 0.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 73.11 111.108 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 166.36 121.39 0.56 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 71.32 112.478 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -90.03 -111.28 1.41 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.698 -0.763 . . . . 72.33 112.458 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.07 22.5 7.89 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.746 -0.74 . . . . 54.35 112.511 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -109.34 132.47 11.09 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.748 -0.739 . . . . 70.22 112.459 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 84.18 11.67 77.96 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.724 -0.75 . . . . 72.03 112.462 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.17 -36.0 16.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.822 0.344 . . . . 74.4 111.101 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -66.12 -59.25 3.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 60.22 110.858 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -55.18 -27.19 43.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 74.35 110.897 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.0 mt -67.34 -57.33 6.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 72.35 110.936 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.0 -24.56 63.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 74.34 110.884 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.26 -43.29 78.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 74.41 110.948 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 21.6 t90 -80.16 -42.46 23.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 72.12 110.92 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 1.1 tt -56.26 -24.73 18.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 72.1 111.178 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.11 -57.73 3.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 71.53 110.921 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 97.9 t -51.78 -29.92 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 72.53 111.112 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -70.85 -57.06 4.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 72.02 110.86 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 10.3 p -63.24 -24.39 35.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 55.52 111.073 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.64 -38.14 67.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 75.12 110.881 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 74.8 t -63.84 -43.71 97.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 65.41 111.115 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -66.58 -45.42 79.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 72.15 110.907 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -66.93 -53.92 24.36 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.688 -0.767 . . . . 65.42 112.513 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 53.2 m -53.96 -52.84 59.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.788 0.328 . . . . 74.43 111.176 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 26.3 mt -57.07 -36.55 51.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 75.21 111.159 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -57.53 -37.05 80.6 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.755 -0.736 . . . . 62.41 112.471 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 27.6 mmt -67.02 -46.74 73.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.813 0.339 . . . . 74.41 110.892 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -73.5 -14.02 61.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 74.42 110.868 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.5 tt -80.02 -16.55 54.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 74.54 110.904 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.514 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 1.8 tt0 -60.79 -58.45 19.23 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.631 0.729 . . . . 74.35 110.951 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 131' ' ' GLN . 53.3 Cg_endo -69.78 150.96 68.8 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.687 2.258 . . . . 60.42 112.342 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -66.89 -26.37 66.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.211 -0.45 . . . . 72.34 110.909 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -170.11 178.28 3.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 74.4 110.899 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -30.89 71.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 74.2 110.886 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 56.53 73.49 0.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 74.02 110.857 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 75.24 110.893 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.782 0.325 . . . . 71.43 110.926 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.49 151.02 38.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 74.44 111.118 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -117.5 49.62 1.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 72.31 110.905 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -118.32 107.8 14.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 70.41 110.884 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.499 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 6.1 tt0 178.55 -59.24 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.656 0.741 . . . . 61.33 110.884 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 54.3 Cg_endo -69.76 -21.24 33.76 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.698 2.266 . . . . 74.13 112.359 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.28 -16.16 60.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 65.32 110.873 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -61.91 -24.26 66.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 75.1 110.869 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -74.95 -59.74 2.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 75.43 110.871 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.2 t -54.23 -38.41 65.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.505 . . . . 73.24 111.127 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.8 mm -59.54 -47.83 89.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 75.11 111.098 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -67.1 -13.68 62.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 72.43 110.9 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.0 -24.38 22.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 72.3 110.918 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.4 mp -78.78 -32.37 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 74.1 111.12 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.524 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 2.0 mm -51.78 -57.44 14.71 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.655 0.74 . . . . 74.22 111.154 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.524 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.7 Cg_endo -69.77 -34.49 14.45 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.721 2.281 . . . . 74.12 112.321 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -52.39 -55.4 21.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 72.34 110.877 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.1 t -71.47 -28.14 30.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 71.52 111.121 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.0 tt -65.84 -45.55 81.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 72.4 110.916 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 7.3 mt -65.27 -42.42 93.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 63.21 111.17 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -59.14 -49.13 79.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.126 -0.488 . . . . 74.42 111.156 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.49 -45.59 66.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 75.32 110.856 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.03 -48.91 75.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 62.52 110.897 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.96 -27.01 69.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 72.23 111.061 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 48.9 mt -78.97 -46.24 23.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 73.53 111.138 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.09 -41.39 92.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 75.21 110.907 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 43.3 t -64.75 -40.69 89.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 74.13 111.138 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.59 -35.44 74.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 74.52 110.888 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -81.9 -26.6 33.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 72.31 110.955 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.9 mp -133.96 71.13 74.16 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.561 0.696 . . . . 73.44 110.885 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 175.5 7.99 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.685 2.257 . . . . 73.15 112.337 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.52 165.32 27.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 55.44 110.891 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -81.65 -13.26 58.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 70.33 110.894 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -79.55 -6.42 56.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 70.23 110.886 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 75.26 41.68 30.52 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.744 . . . . 64.13 112.509 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -61.27 -31.68 71.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.886 0.374 . . . . 74.12 110.839 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.8 tptt -68.89 -33.83 74.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 75.04 110.893 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.1 mtp -63.35 -58.67 6.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 73.11 110.909 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 5.5 t -57.31 -27.11 61.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 65.11 111.118 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.47 -49.87 56.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 73.21 110.922 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.0 t -52.71 -43.21 65.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 75.44 110.903 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 59.9 mt -64.44 -37.63 80.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 74.13 111.114 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.9 m -70.44 -49.63 46.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 73.23 110.855 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.5 t -52.21 -40.28 30.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 75.04 111.13 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.23 -45.9 86.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 74.14 110.86 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.8 tt -61.67 -47.88 83.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 73.12 110.912 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.52 -44.69 72.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 70.21 111.051 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.67 -40.48 92.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 75.23 110.96 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 46.1 m -65.78 -38.37 88.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 74.24 111.13 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 64.3 t -59.15 -53.94 41.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.425 . . . . 73.42 111.114 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -65.82 -39.03 90.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 74.45 110.864 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.0 tt -57.65 -37.94 74.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 74.54 110.896 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.6 mp -70.31 -39.38 74.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 75.42 110.923 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.16 -61.57 2.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 75.32 110.875 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.4 mp -54.92 -32.41 26.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 74.44 111.122 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.03 -43.15 99.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 73.32 110.903 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.25 -21.52 58.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 73.41 110.936 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 19.9 mt 65.93 110.86 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 64.42 111.151 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.5 m -125.36 73.72 67.72 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.627 0.727 . . . . 75.01 111.163 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 167.78 23.41 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.665 2.243 . . . . 71.12 112.362 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -37.11 9.58 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.664 2.243 . . . . 71.34 112.296 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -170.39 -38.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 70.12 111.161 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 74.8 m -146.02 122.27 10.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 70.14 110.851 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.6 t -104.3 166.79 10.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 72.32 110.881 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -171.58 -41.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.141 -0.481 . . . . 74.14 110.867 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.4 m -138.16 71.15 47.83 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.723 0.773 . . . . 42.53 110.885 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 138.17 37.17 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.672 2.248 . . . . 71.52 112.353 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.73 -10.75 13.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 74.12 110.848 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 34.8 m -60.19 -25.45 33.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 72.35 111.132 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -72.3 -33.88 61.35 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.719 -0.753 . . . . 75.22 112.484 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -63.18 -57.04 11.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 74.33 110.903 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -53.48 -40.86 65.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 73.12 110.919 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.37 -37.77 88.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 74.43 110.883 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 2.1 ttt -59.95 -56.25 24.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 70.55 110.895 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -65.14 -29.09 69.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 71.33 110.904 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 16.4 m -68.83 -48.81 62.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.162 -0.472 . . . . 72.14 111.14 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.8 mmt -57.09 -35.04 68.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 74.21 110.891 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 30.9 t -65.72 -59.72 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 71.53 111.146 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.6 tp -56.89 -45.85 82.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 74.42 110.928 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.7 t -57.13 -47.32 84.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 65.52 111.138 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.8 m -51.93 -42.17 62.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 70.41 111.165 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.98 -50.39 70.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 72.23 110.879 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 82.4 p -64.38 -46.01 85.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 70.32 110.849 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 17.6 mm -58.38 -43.15 85.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 71.42 111.133 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 10.4 t -53.33 -60.94 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 65.42 111.13 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -57.83 -23.83 54.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 74.24 111.171 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.42 -51.58 59.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 62.23 110.883 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 38.9 t -68.57 -36.83 76.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 74.13 111.125 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 32.6 t -56.1 -33.15 64.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 72.55 110.92 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 76.0 t -76.79 -37.77 28.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 75.12 111.161 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.29 -17.88 59.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 74.34 110.911 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -91.43 153.58 19.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.427 . . . . 65.21 110.873 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.6 p -137.14 152.06 27.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 73.52 111.119 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -168.47 164.29 12.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 71.53 110.85 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 60.01 25.67 14.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 75.2 110.893 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.02 175.37 0.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 72.52 110.917 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -142.33 160.6 53.98 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.686 0.755 . . . . 73.44 110.863 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 -37.77 8.57 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.635 2.224 . . . . 73.42 112.324 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -172.63 167.45 5.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 72.15 110.901 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -93.87 -11.01 32.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 75.13 111.128 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -135.22 108.55 7.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 65.43 110.882 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.17 122.92 23.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 74.21 111.154 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -72.49 125.92 10.78 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.753 -0.737 . . . . 75.0 112.482 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 93.32 -174.76 35.54 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.756 -0.735 . . . . 74.42 112.502 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -136.2 172.54 22.35 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.739 -0.743 . . . . 70.33 112.474 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -72.16 -52.36 11.37 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.756 -0.735 . . . . 52.43 112.456 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 137.22 -37.1 1.89 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.724 -0.751 . . . . 62.22 112.463 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.18 -36.03 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.791 0.329 . . . . 71.44 111.07 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -70.46 -51.96 25.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 74.15 110.879 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -53.72 -38.69 64.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 75.04 110.883 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.0 tp -64.1 -50.64 67.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 74.33 110.874 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -62.93 -37.11 85.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 74.2 110.887 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.0 -46.5 65.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 75.42 110.902 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 24.2 t90 -55.99 -51.92 66.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 74.43 110.923 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 27.9 pt -64.78 -29.47 47.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 75.35 111.126 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -65.58 -35.42 80.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 62.54 110.885 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 98.0 t -72.93 -34.47 46.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 72.44 111.153 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.88 -61.85 2.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 73.23 110.835 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 11.2 p -57.29 -29.74 33.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 73.42 111.115 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 1.8 m -73.46 -28.81 62.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 75.24 110.915 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 25.7 t -70.41 -61.59 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 73.41 111.14 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -60.76 -27.73 68.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 73.45 110.883 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -68.98 -58.79 6.42 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.725 -0.75 . . . . 74.43 112.444 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 33.0 p -68.14 -54.09 20.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.761 0.315 . . . . 73.01 111.167 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 33.4 mm -59.64 -32.61 49.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 73.24 111.152 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -57.85 -55.36 30.99 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.75 . . . . 55.21 112.524 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 18.2 ptp -79.38 -22.09 44.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.827 0.346 . . . . 75.44 110.877 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -79.76 -13.99 59.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 74.25 110.885 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -88.78 -8.26 54.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 73.13 110.904 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.514 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 2.0 tt0 -59.22 -58.45 19.39 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.563 0.697 . . . . 75.24 110.904 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 131' ' ' GLN . 54.0 Cg_endo -69.74 150.96 69.02 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.674 2.249 . . . . 74.34 112.36 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -66.94 -26.29 66.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 75.45 110.923 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -167.23 175.96 7.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 74.15 110.848 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.53 -28.26 44.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 74.33 110.938 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 55.47 57.97 4.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 75.03 110.864 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 72.52 110.844 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.5 t30 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.844 0.354 . . . . 71.51 110.883 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.85 179.89 5.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 75.1 111.093 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -102.9 5.21 38.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 63.41 110.867 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -98.06 -13.36 21.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 73.14 110.911 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.528 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 5.1 tp10 -60.71 -58.16 21.31 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.667 0.746 . . . . 71.13 110.905 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 54.0 Cg_endo -69.71 -22.57 32.12 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.679 2.253 . . . . 74.15 112.331 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.81 -15.17 63.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 73.44 110.89 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -63.65 -26.05 68.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 75.13 110.929 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -75.99 -59.07 2.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 65.44 110.93 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.1 t -52.92 -41.24 64.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 75.02 111.133 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.2 mm -61.49 -43.87 97.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 64.34 111.165 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -67.75 -13.25 61.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 74.55 110.921 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.02 -24.65 22.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 72.02 110.896 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.5 mm -78.64 -32.51 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 73.3 111.12 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.521 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 1.8 mm -51.77 -57.51 14.45 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.645 0.735 . . . . 73.3 111.132 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.7 Cg_endo -69.76 -34.0 15.47 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.669 2.246 . . . . 72.54 112.332 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.5 t -52.06 -56.23 15.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.279 -0.419 . . . . 74.15 110.908 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.7 m -70.45 -31.87 48.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 72.31 111.126 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.5 tp -62.26 -45.29 93.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 72.21 110.887 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.1 mt -64.0 -39.17 84.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 75.22 111.11 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.0 m -55.97 -52.15 65.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 72.52 111.15 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.07 -42.59 69.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 64.03 110.824 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 mp -59.61 -45.35 92.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 74.24 110.915 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.9 -38.55 91.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 64.51 111.118 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.24 -41.88 93.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 74.31 111.157 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.57 -30.64 70.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 74.21 110.911 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 18.9 t -67.47 -37.21 78.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 75.51 111.116 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -72.27 -26.91 62.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 73.11 110.896 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -80.16 -29.45 38.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 75.42 110.927 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.6 mp -137.54 73.44 48.72 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.636 0.731 . . . . 73.51 110.915 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 162.73 40.93 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.732 2.288 . . . . 74.52 112.328 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.17 162.2 35.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 63.23 110.844 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -95.42 12.26 29.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 74.13 110.864 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 56.9 m -91.61 13.25 18.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 75.11 110.894 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.35 28.71 59.4 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.742 . . . . 75.44 112.539 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -56.88 -35.72 69.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.888 0.375 . . . . 74.14 110.854 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -61.42 -55.94 25.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 74.44 110.903 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 5.6 mtt -56.37 -42.89 78.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 73.22 110.885 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.9 m -64.27 -53.83 42.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.279 -0.419 . . . . 74.31 111.126 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.52 -42.93 83.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 71.32 110.907 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 39.0 t -52.41 -46.2 66.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 73.43 110.883 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.6 mt -70.18 -39.63 77.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 71.33 111.163 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.3 -50.77 72.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 73.14 110.855 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.4 t -53.86 -46.02 63.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 72.31 111.133 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 49.3 tp -71.83 -24.44 61.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 70.4 110.92 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.6 -49.39 77.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 73.43 110.885 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.33 -54.91 14.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 74.14 111.131 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -53.5 -32.81 51.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 74.2 110.914 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.1 m -71.09 -36.8 72.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.184 -0.462 . . . . 72.4 111.191 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 70.0 t -56.4 -56.31 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 64.43 111.162 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -68.38 -47.51 67.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 74.32 110.852 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.27 -53.92 37.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 73.02 110.912 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 28.0 tp -55.76 -34.79 65.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 73.14 110.912 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.23 -56.82 12.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 75.11 110.861 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.1 mp -79.19 -22.56 12.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 74.23 111.126 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.8 t -52.83 -34.63 54.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 74.02 110.862 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -94.86 -50.07 5.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.084 -0.507 . . . . 73.11 110.881 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 27.5 mm -149.78 133.1 7.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 72.2 111.104 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.1 m -51.16 156.28 1.92 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.587 0.708 . . . . 75.52 111.12 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 167.74 23.54 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.648 2.232 . . . . 75.25 112.363 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -8.9 24.77 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.71 2.273 . . . . 70.32 112.327 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 77.2 p -53.71 -50.87 64.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 73.11 111.144 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.0 t -172.02 147.51 2.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 75.22 110.851 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -117.43 -12.99 10.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 74.12 110.869 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -70.6 -59.35 2.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 74.12 110.868 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.2 t -152.18 69.68 7.55 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.659 0.742 . . . . 72.02 110.831 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 166.65 26.95 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.679 2.253 . . . . 65.21 112.322 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 63.0 m -103.12 14.69 31.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 73.34 110.866 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 13.2 m -58.79 -28.0 36.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 72.33 111.147 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -77.74 -33.77 41.22 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.812 -0.708 . . . . 53.24 112.478 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -69.59 -54.76 12.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.839 0.352 . . . . 72.31 110.876 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -62.47 -29.64 70.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 75.52 110.91 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.4 tp -72.93 -36.81 67.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 74.02 110.928 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.84 -58.35 8.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 75.41 110.882 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -64.89 -33.83 76.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 74.32 110.843 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.9 m -55.11 -58.05 9.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 72.54 111.143 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.5 mmt -54.95 -38.71 68.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 61.24 110.879 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 3.7 t -60.74 -43.06 94.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 72.13 111.092 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.1 tp -72.4 -34.35 67.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 73.23 110.887 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.6 t -67.81 -49.08 72.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 73.41 111.155 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 99.0 m -53.41 -44.03 68.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 72.31 111.129 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -57.62 -45.55 85.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 71.42 110.855 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 71.0 m -56.43 -47.11 79.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 72.25 110.86 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 35.8 mm -57.47 -45.48 85.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 74.33 111.11 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 97.3 t -61.39 -26.55 39.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 73.51 111.09 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -79.46 -53.18 7.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 73.32 111.157 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 97.5 p -61.98 -38.55 88.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 65.55 110.866 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 24.7 t -63.83 -44.1 98.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 73.32 111.121 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 2.0 t -58.49 -37.38 75.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 64.53 110.907 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 80.3 t -61.26 -50.82 78.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 73.22 111.108 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.22 -64.39 0.97 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 74.51 110.908 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -120.07 123.27 43.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 63.45 110.914 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.6 p -124.11 156.2 31.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 75.12 111.14 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 -142.23 77.01 1.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 75.4 110.89 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -127.29 37.16 4.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 74.12 110.852 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.6 ppt_? -90.24 151.32 21.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 72.35 110.866 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.2 m -142.93 160.58 52.46 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.672 0.748 . . . . 75.21 110.813 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -32.08 19.11 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.651 2.234 . . . . 71.23 112.338 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -139.84 145.99 38.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 75.45 110.916 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 1.4 t -174.92 86.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 74.05 111.17 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 27.2 m170 -52.07 -31.98 32.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 75.43 110.871 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.49 137.06 37.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 73.34 111.128 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -88.01 -15.57 60.82 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 73.33 112.504 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.98 -176.39 49.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.762 -0.733 . . . . 73.44 112.469 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -166.31 -118.37 0.44 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 74.11 112.492 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -142.52 -164.52 10.16 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.718 -0.753 . . . . 65.12 112.499 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 103.14 -31.83 8.29 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.798 -0.715 . . . . 45.31 112.526 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.26 -35.91 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.793 0.33 . . . . 73.15 111.156 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -62.7 -45.72 91.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 73.01 110.874 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.89 -41.9 75.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 75.0 110.878 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.33 -50.35 73.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 72.25 110.921 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.4 -31.81 66.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 75.1 110.886 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.54 -47.7 25.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 74.31 110.938 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 22.2 t-105 -53.14 -43.13 66.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 73.02 110.916 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 30.0 pt -74.28 -24.19 18.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 72.31 111.113 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -73.06 -47.76 41.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 73.32 110.882 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 16.6 t -68.55 -26.06 32.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 73.24 111.113 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -64.65 -58.52 6.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 75.4 110.929 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.3 p -61.49 -24.64 34.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 71.15 111.158 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -77.83 -57.78 3.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 74.31 110.863 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 47.2 t -62.6 -43.4 98.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 73.24 111.121 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -66.6 -38.44 87.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 73.42 110.884 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -71.55 -57.48 5.98 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.762 -0.732 . . . . 73.41 112.438 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 38.4 p -56.74 -63.91 1.05 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.835 0.35 . . . . 74.15 111.14 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 28.8 mm -53.93 -29.53 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 62.32 111.111 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -53.53 -55.37 25.32 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 73.45 112.462 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 11.4 ptp -83.3 -22.75 32.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.838 0.351 . . . . 75.11 110.884 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -74.11 -15.42 61.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 73.33 110.937 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 1.1 tt -83.24 -1.5 53.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 63.14 110.909 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.508 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 2.4 tt0 -65.72 -58.5 11.34 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.612 0.72 . . . . 72.33 110.918 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 131' ' ' GLN . 53.3 Cg_endo -69.84 150.97 68.46 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.657 2.238 . . . . 73.54 112.306 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -66.89 -26.29 66.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 74.44 110.954 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -171.3 -178.03 2.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 75.3 110.914 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -65.05 -29.33 70.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 71.1 110.904 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 59.84 78.06 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 72.32 110.867 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 63.1 110.932 -179.961 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 18.9 m120 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.843 0.354 . . . . 72.14 110.922 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -99.3 97.64 8.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 73.31 111.113 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -121.06 45.34 2.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 71.21 110.874 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.66 109.88 14.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 64.45 110.894 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.497 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.4 tt0 178.52 -59.19 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.65 0.738 . . . . 75.22 110.903 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 54.1 Cg_endo -69.77 -25.55 28.45 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.706 2.271 . . . . 72.01 112.339 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.33 -15.54 63.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 74.24 110.934 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -62.86 -20.2 64.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 73.34 110.881 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -73.78 -60.99 2.0 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.179 -0.464 . . . . 70.41 110.893 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.3 t -52.98 -37.01 60.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 72.25 111.14 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.2 mt -64.73 -42.18 94.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 75.44 111.128 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.18 -11.75 61.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 62.32 110.933 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.91 -27.15 21.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 72.04 110.914 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.6 mm -79.25 -30.69 14.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 74.33 111.102 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.527 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 0.9 OUTLIER -51.74 -57.49 14.5 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.648 0.737 . . . . 74.24 111.168 179.847 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.6 Cg_endo -69.79 -37.8 8.62 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.677 2.252 . . . . 71.52 112.352 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.0 t -52.22 -53.54 42.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 73.24 110.887 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.1 m -75.26 -25.06 17.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 75.21 111.106 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.1 tp -66.03 -56.38 11.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 71.53 110.946 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 34.9 mt -58.05 -42.77 83.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 73.3 111.095 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.0 m -52.46 -49.94 63.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 71.11 111.14 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.98 -39.29 71.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 74.24 110.91 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.27 -44.8 92.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 72.1 110.908 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.05 -27.45 68.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 72.32 111.103 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 94.7 mt -77.57 -36.44 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 74.12 111.134 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.2 mp -74.74 -32.63 62.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.201 -0.454 . . . . 73.42 110.914 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.1 t -64.06 -55.31 22.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 73.13 111.181 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -60.54 -30.13 69.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 64.33 110.831 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -76.92 -38.5 53.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 75.32 110.955 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -116.0 71.02 4.0 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.606 0.717 . . . . 75.14 110.91 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 111.28 2.77 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.678 2.252 . . . . 61.13 112.369 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.29 -18.37 18.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 74.51 110.851 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.9 t0 61.17 42.82 11.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 75.24 110.852 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -108.61 3.3 22.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 74.42 110.857 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 96.4 7.65 57.99 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.751 -0.738 . . . . 74.31 112.512 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -64.32 -27.7 69.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.905 0.383 . . . . 72.4 110.876 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.64 -53.22 60.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 73.4 110.914 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 14.8 mtm -62.65 -40.14 96.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 64.2 110.888 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 64.0 m -62.08 -38.92 90.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 64.24 111.107 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.0 tp -61.1 -45.73 93.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 71.51 110.955 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 52.6 t -55.06 -41.74 71.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 70.24 110.863 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 82.4 mt -74.38 -26.5 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 74.31 111.131 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.1 m -75.63 -56.24 4.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 73.34 110.833 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.8 p -59.7 -28.57 40.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 72.43 111.156 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.81 -29.94 50.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 72.24 110.881 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.3 tp -70.14 -51.48 31.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 74.24 110.923 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.47 -46.74 83.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 72.52 111.107 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.4 tp -63.14 -31.11 72.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 70.31 110.893 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 20.6 m -71.71 -34.11 69.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 74.52 111.153 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.3 t -60.79 -61.38 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 75.51 111.134 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -62.28 -37.79 86.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 75.11 110.95 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.2 tt -54.23 -58.82 5.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 75.14 110.908 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 17.8 mt -52.39 -33.96 45.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 62.2 110.918 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.09 -58.7 5.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 72.21 110.971 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.6 mp -78.56 -22.39 13.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 71.03 111.138 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.8 p -53.12 -33.43 52.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 73.43 110.876 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp -94.98 -50.11 5.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 73.21 110.91 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 56.2 mt -149.35 132.64 7.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 73.13 111.13 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.1 m -51.14 156.24 1.91 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.638 0.732 . . . . 73.1 111.125 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 167.73 23.54 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.681 2.254 . . . . 74.33 112.348 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -8.99 25.02 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.724 2.283 . . . . 73.41 112.365 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.65 -22.52 22.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 74.11 111.11 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 28.8 t -55.26 125.58 21.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 70.42 110.853 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.3 p -178.24 114.9 0.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 72.24 110.837 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 58.81 91.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 53.34 110.84 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 m 60.14 72.26 0.77 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.665 0.745 . . . . 71.1 110.874 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 148.99 66.48 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.7 2.267 . . . . 72.0 112.375 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.4 m -86.26 -8.28 57.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 75.32 110.834 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 36.0 m -54.25 -33.89 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 71.43 111.13 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -70.69 -60.38 4.66 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.728 -0.749 . . . . 73.14 112.495 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -54.3 -43.69 71.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.86 0.362 . . . . 71.23 110.851 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -52.25 -51.67 57.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 75.3 110.885 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.93 -33.19 75.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 75.22 110.903 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -60.46 3.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 73.43 110.923 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -65.13 -27.42 68.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 73.41 110.87 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.2 m -61.7 -52.49 64.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 73.4 111.115 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 10.3 mmt -60.38 -43.55 96.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 75.0 110.866 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 3.9 t -52.37 -53.53 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 75.44 111.125 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.1 mp -68.4 -43.55 77.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.888 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.5 t -53.05 -41.38 41.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 74.55 111.142 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 26.9 m -63.17 -44.6 95.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 65.51 111.14 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -62.22 -40.7 96.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 71.34 110.893 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.89 -55.13 36.68 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.121 -0.49 . . . . 73.53 110.851 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 19.7 mm -53.57 -38.39 33.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 65.31 111.095 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 15.1 t -58.53 -43.72 87.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 74.0 111.13 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.6 m -74.4 -23.04 58.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 72.34 111.133 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.8 t -65.7 -53.44 40.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 72.11 110.85 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 5.3 p -69.92 -24.15 26.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 71.41 111.14 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.79 -55.45 6.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 74.13 110.841 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -66.54 -19.21 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 74.3 111.137 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 60.1 tp -74.12 -56.0 5.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 75.42 110.931 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 22.9 t30 -172.26 125.74 0.53 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 73.21 110.891 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.3 p -159.93 149.09 6.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 73.44 111.119 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -165.93 -49.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 74.21 110.805 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -127.96 86.67 2.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 74.44 110.842 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.8 ttm-85 -145.78 24.39 1.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 73.13 110.903 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.16 160.55 36.95 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.702 0.763 . . . . 73.22 110.833 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -47.22 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.657 2.238 . . . . 64.11 112.34 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -101.7 143.32 31.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.43 . . . . 71.52 110.902 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 76.8 p -82.63 98.55 9.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 74.12 111.131 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -129.49 98.6 4.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 73.32 110.87 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -139.14 166.74 23.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 75.15 111.156 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 82.74 76.23 1.13 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.753 . . . . 72.03 112.46 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -93.98 -157.87 33.31 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.747 -0.74 . . . . 62.41 112.495 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -69.36 -168.46 5.97 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.807 -0.711 . . . . 74.41 112.491 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -108.15 -15.91 13.42 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.746 . . . . 70.55 112.466 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -101.46 15.76 57.15 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.739 . . . . 72.4 112.502 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.21 -35.97 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.842 0.353 . . . . 74.21 111.168 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -62.35 -57.05 12.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 63.44 110.886 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -23.77 67.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 73.22 110.855 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.91 -54.56 12.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.483 . . . . 72.24 110.922 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -61.32 -25.78 67.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 73.14 110.872 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -75.57 -50.98 13.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 72.13 110.923 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 20.0 t90 -53.83 -48.26 70.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 73.4 110.919 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 31.8 pt -68.48 -26.56 33.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 71.54 111.173 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -76.33 -34.38 58.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 75.15 110.862 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 46.5 t -76.02 -29.94 20.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 74.33 111.113 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.06 -45.21 70.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 71.31 110.869 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.7 p -67.54 -31.81 54.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 55.34 111.102 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -80.49 -20.93 42.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 73.44 110.883 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.4 t -83.07 -55.25 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 72.12 111.088 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -59.81 -48.92 79.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 71.53 110.869 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -60.05 -52.82 50.49 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.753 -0.737 . . . . 51.5 112.51 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 21.2 m -55.17 -54.65 40.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.737 0.303 . . . . 63.03 111.148 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 40.9 mt -57.36 -33.27 43.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 73.32 111.144 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -54.68 -57.51 17.42 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.721 -0.752 . . . . 52.25 112.49 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 16.6 ptp -76.61 -21.63 55.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.841 0.353 . . . . 70.15 110.89 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -77.42 -15.25 59.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 72.44 110.91 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.15 -3.89 58.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 73.34 110.94 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.511 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 3.0 tt0 -62.32 -58.5 17.01 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.557 0.694 . . . . 75.04 110.893 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 131' ' ' GLN . 54.6 Cg_endo -69.65 150.97 69.54 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.683 2.255 . . . . 71.34 112.39 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -66.98 -26.3 66.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 75.21 110.891 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -173.07 -179.21 1.95 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 75.14 110.89 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -63.4 -24.71 67.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 73.22 110.911 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 56.78 77.55 0.25 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 74.42 110.906 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 73.55 110.888 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.8 p30 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.868 0.366 . . . . 74.31 110.845 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -130.27 63.11 1.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 74.54 111.087 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -106.78 38.98 1.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 74.42 110.912 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 60.91 94.87 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 74.11 110.901 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.506 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 3.8 tt0 178.55 -59.17 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.625 0.726 . . . . 62.54 110.904 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.9 Cg_endo -69.78 -22.93 31.3 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.7 2.267 . . . . 75.13 112.32 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.73 -38.89 70.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 72.31 110.897 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.12 -26.92 60.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 74.52 110.897 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -60.9 -60.97 2.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 71.24 110.923 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.6 t -52.83 -39.78 62.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 74.42 111.17 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.3 mt -63.44 -41.37 92.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 74.44 111.159 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -69.6 -13.97 62.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 75.15 110.857 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -88.95 -24.95 22.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 74.43 110.88 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.4 mp -78.79 -32.13 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 71.44 111.139 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.526 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 2.6 mt -51.73 -57.52 14.36 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.62 0.724 . . . . 72.34 111.125 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.7 Cg_endo -69.78 -35.0 13.39 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.65 2.234 . . . . 72.43 112.353 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.7 t -53.2 -57.99 8.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 75.25 110.941 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.8 t -72.98 -43.14 59.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 74.42 111.123 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.2 tt -52.16 -56.41 14.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 64.42 110.91 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 8.3 mt -51.86 -50.77 31.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 74.14 111.119 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 80.7 m -53.33 -55.26 26.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 75.12 111.175 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.1 -49.69 63.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 74.31 110.858 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.1 mt -54.84 -36.96 65.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 72.2 110.895 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.96 -25.94 60.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 63.15 111.117 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 94.1 mt -78.06 -53.92 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 75.4 111.113 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.2 mp -53.86 -47.46 70.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 64.54 110.915 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 14.7 t -57.9 -50.48 77.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 74.41 111.132 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.18 -40.39 77.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 75.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -76.03 -10.52 59.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.157 -0.474 . . . . 74.22 110.936 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 mp -139.46 72.04 37.76 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.598 0.713 . . . . 75.41 110.945 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 130.24 19.06 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.73 2.286 . . . . 65.43 112.349 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.95 179.03 4.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 75.22 110.87 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -126.51 19.01 7.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 73.22 110.854 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.1 m -107.6 -12.9 15.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 70.41 110.882 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 111.92 11.1 17.19 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.742 -0.742 . . . . 63.11 112.485 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.22 -33.95 59.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.924 0.392 . . . . 73.54 110.871 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.6 mmmt -56.34 -56.31 22.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 75.42 110.894 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.2 ttt -56.56 -47.85 78.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 75.41 110.888 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 63.0 m -54.85 -28.28 48.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 73.54 111.111 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.42 -40.88 63.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 62.53 110.944 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 36.8 t -60.3 -45.2 94.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 74.33 110.873 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 3.6 mt -72.84 -26.31 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 74.34 111.129 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.3 t -72.2 -55.23 7.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 55.4 110.835 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.9 t -56.98 -36.41 50.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 72.53 111.102 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.2 tt -69.97 -37.55 75.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 74.54 110.938 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.22 -53.05 56.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 73.5 110.92 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.07 -46.07 82.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 63.2 111.078 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.92 -28.22 67.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 72.12 110.9 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.5 m -69.66 -45.66 67.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 62.22 111.142 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 57.9 t -52.49 -57.84 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 74.55 111.139 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -63.11 -37.27 86.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 75.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.0 mt -51.85 -58.97 4.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 74.31 110.9 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.7 mt -55.92 -33.8 65.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 73.21 110.86 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 tt -51.71 -63.61 1.08 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.243 -0.435 . . . . 70.33 110.874 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.8 mp -74.46 -25.56 19.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 74.35 111.1 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 26.5 t -51.97 -30.12 23.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 73.51 110.89 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -93.97 -50.18 5.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 74.21 110.864 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 56.1 mt -149.7 133.2 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 54.22 111.127 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -88.66 154.93 50.84 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.631 0.729 . . . . 73.4 111.132 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 167.76 23.55 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.716 2.277 . . . . 74.14 112.291 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -10.28 28.16 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.688 2.259 . . . . 73.02 112.331 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -74.61 80.15 1.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 70.41 111.159 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.7 t -166.76 79.66 0.22 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.192 -0.458 . . . . 72.12 110.809 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 m -122.0 -67.97 0.92 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 73.45 110.825 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -82.0 -47.97 12.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 73.33 110.856 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -137.6 160.63 64.34 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.653 0.74 . . . . 73.53 110.858 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -179.37 2.88 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.68 2.253 . . . . 75.41 112.341 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.4 m -143.68 -68.69 0.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 73.04 110.879 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.4 p -55.81 -32.91 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 75.4 111.072 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -76.53 -42.9 20.93 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.775 -0.726 . . . . 73.44 112.43 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -60.19 -38.83 84.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.85 0.357 . . . . 74.42 110.842 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -72.01 -43.04 65.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.172 -0.467 . . . . 75.14 110.906 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.49 -29.67 69.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 65.44 110.89 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.18 -55.75 22.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 72.53 110.859 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -70.88 -25.49 62.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 73.44 110.849 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.6 m -72.91 -48.48 36.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 75.31 111.143 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.83 -38.9 89.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 73.02 110.872 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 15.2 t -57.92 -57.27 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 75.02 111.121 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.47 -46.92 88.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 74.21 110.89 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.6 t -51.95 -47.38 41.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 72.12 111.107 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.5 m -56.33 -50.43 71.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 63.11 111.153 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.26 -33.99 77.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 72.34 110.927 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.39 -51.66 62.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 73.01 110.843 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 10.1 mm -52.65 -42.89 42.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.475 . . . . 75.32 111.128 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 25.3 t -55.5 -45.1 78.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 72.14 111.097 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.81 -25.65 61.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 75.42 111.117 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.45 -41.99 92.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 73.22 110.867 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 27.4 t -71.82 -40.91 69.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 72.41 111.074 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 7.9 t -57.98 -35.15 70.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 71.41 110.879 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 85.3 t -73.57 -42.52 55.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 74.42 111.107 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.4 mt -66.92 -61.83 1.75 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 75.13 110.877 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -130.14 142.89 50.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 73.42 110.925 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 13.2 p -161.78 146.86 4.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 72.51 111.127 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -172.47 132.59 0.61 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 62.12 110.836 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -112.57 146.04 39.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.451 . . . . 72.21 110.838 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -141.83 114.55 8.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 72.41 110.889 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.31 160.53 57.01 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.663 0.744 . . . . 65.43 110.855 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 -34.25 15.22 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.706 2.271 . . . . 72.53 112.343 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -110.79 156.61 20.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 74.4 110.878 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -88.37 155.47 19.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 75.15 111.098 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -147.74 160.08 43.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 74.23 110.841 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 17.0 p -131.07 164.11 26.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 74.45 111.101 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -161.77 -172.46 29.19 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.705 -0.76 . . . . 53.43 112.486 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -177.03 140.57 4.97 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.754 -0.736 . . . . 65.35 112.477 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 158.02 -76.61 0.2 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.734 -0.746 . . . . 63.53 112.505 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 61.3 23.58 62.42 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 62.42 112.468 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -112.38 -0.61 26.45 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.75 -0.738 . . . . 75.34 112.497 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.17 -35.99 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.857 0.36 . . . . 73.24 111.108 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -54.19 -59.88 4.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 72.34 110.893 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 1.7 mtm-85 -59.86 -24.65 64.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 75.12 110.877 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.12 -60.36 2.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 75.44 110.861 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -58.75 -29.57 66.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 74.11 110.864 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -69.24 -51.06 41.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 75.33 110.963 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 56.1 t-105 -52.93 -58.06 8.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 75.25 110.974 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 25.9 pt -58.14 -25.69 27.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 74.02 111.128 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -78.39 -32.26 48.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 75.11 110.86 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 64.5 t -72.77 -30.58 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 72.54 111.146 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -72.34 -54.31 9.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.478 . . . . 74.23 110.891 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 4.5 p -55.16 -31.76 26.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 75.33 111.118 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -73.26 -34.21 65.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 75.22 110.866 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 29.9 t -69.26 -46.94 76.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 65.12 111.088 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -74.74 -41.51 59.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 71.14 110.866 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -59.77 -51.1 61.03 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.792 -0.718 . . . . 73.43 112.47 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 94.7 m -61.96 -44.84 95.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.794 0.33 . . . . 75.24 111.168 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 52.7 mt -59.79 -32.61 50.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 74.52 111.154 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -64.06 -55.7 22.6 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.752 -0.737 . . . . 54.1 112.48 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 24.1 ptp -72.98 -20.51 61.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.77 0.319 . . . . 74.31 110.886 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -81.45 -19.27 42.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 70.21 110.894 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.43 -12.13 59.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.121 -0.49 . . . . 72.53 110.921 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.517 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 1.9 tt0 -57.97 -58.5 18.16 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.63 0.729 . . . . 73.45 110.892 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 131' ' ' GLN . 53.9 Cg_endo -69.7 150.96 69.24 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.735 2.29 . . . . 74.42 112.333 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -66.96 -26.29 66.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 75.34 110.939 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -175.25 178.25 1.73 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 73.33 110.92 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -58.33 -34.67 70.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 73.33 110.954 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 55.26 90.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 72.53 110.888 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 71.31 110.847 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.833 0.349 . . . . 72.05 110.887 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -137.43 175.35 9.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 73.02 111.067 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -106.0 5.27 30.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 74.52 110.857 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -113.61 -21.0 11.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 73.31 110.908 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.51 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 4.5 tt0 -54.43 -58.41 14.12 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.67 0.748 . . . . 75.11 110.908 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.9 Cg_endo -69.78 -38.93 7.08 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.695 2.263 . . . . 72.54 112.328 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.05 -15.51 62.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 75.12 110.935 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -63.25 -26.73 68.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 74.32 110.864 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -76.49 -59.31 2.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 71.15 110.944 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.8 t -51.85 -41.6 61.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.5 . . . . 62.02 111.169 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.4 mm -61.0 -44.51 98.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 74.23 111.13 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -66.64 -13.96 61.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 61.52 110.882 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.97 -23.72 22.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.481 . . . . 70.51 110.89 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.5 mm -78.5 -33.09 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 74.43 111.101 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.529 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 1.1 mt -51.87 -57.45 14.81 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.607 0.718 . . . . 73.12 111.135 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.6 Cg_endo -69.74 -33.21 17.12 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.706 2.271 . . . . 75.42 112.344 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.8 t -54.13 -58.45 7.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 60.31 110.896 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 26.8 m -72.45 -34.79 49.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 72.12 111.122 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.0 tp -58.32 -47.19 84.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 75.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 49.9 mt -73.76 -52.36 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 74.21 111.126 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 39.4 m -52.74 -56.11 17.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 74.24 111.165 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.3 t -52.18 -40.77 61.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 74.34 110.895 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.31 -38.08 82.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 74.44 110.892 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.01 -30.64 61.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 64.41 111.13 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 42.2 mt -76.67 -40.69 33.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 62.41 111.108 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -69.42 -24.66 63.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 72.52 110.917 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.5 t -76.55 -44.88 34.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 61.01 111.136 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.41 -40.55 94.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 74.12 110.877 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -81.27 -50.07 9.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.174 -0.466 . . . . 74.44 110.939 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.71 70.44 9.48 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.643 0.735 . . . . 74.14 110.904 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 137.88 36.48 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.646 2.23 . . . . 75.12 112.35 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.6 t -106.74 -13.24 15.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 71.12 110.878 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -145.01 -170.14 3.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 75.2 110.908 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -108.74 -23.64 11.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 74.22 110.875 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -107.73 17.43 35.98 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.741 . . . . 65.02 112.496 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.07 -21.08 59.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.938 0.399 . . . . 73.1 110.903 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -69.51 -59.06 3.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 74.32 110.926 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.2 -41.79 76.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 71.33 110.889 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.3 m -58.58 -34.61 71.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 71.04 111.088 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.1 -48.54 65.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 75.4 110.919 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -55.68 -34.36 64.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 64.12 110.888 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 14.6 mt -78.14 -34.83 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 75.05 111.132 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.0 t -70.97 -45.74 63.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 73.43 110.845 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.2 p -65.53 -30.79 51.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 64.22 111.173 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.8 mt -73.18 -33.43 65.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 74.51 110.937 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.5 tt -68.89 -56.11 8.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 63.21 110.874 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.71 -49.38 76.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 73.22 111.125 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 32.2 tp -60.32 -37.22 79.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 71.04 110.925 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.7 m -61.58 -39.63 91.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 74.4 111.145 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 50.5 t -57.94 -60.54 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 74.53 111.123 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -61.48 -45.34 94.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 72.15 110.881 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.43 -41.85 73.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 72.14 110.873 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.1 tt -61.05 -35.87 78.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 70.22 110.929 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.92 -61.92 2.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 75.04 110.894 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.5 mp -63.8 -27.35 42.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 63.44 111.089 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.3 t -57.67 -52.98 63.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 74.43 110.852 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.07 -21.66 63.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 73.4 110.899 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 19.5 mt 66.13 149.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.281 -0.418 . . . . 75.33 111.115 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -148.65 159.62 37.92 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.623 0.725 . . . . 62.53 111.105 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 167.77 23.48 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.665 2.244 . . . . 75.22 112.34 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -49.73 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.691 2.261 . . . . 53.11 112.312 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 52.32 28.28 5.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 74.01 111.126 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.98 -171.13 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 72.3 110.87 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.06 107.86 12.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 63.44 110.859 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.0 p30 -179.13 -177.66 0.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 70.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.1 t -145.23 69.1 14.03 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.637 0.732 . . . . 72.43 110.84 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -44.79 1.84 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.635 2.223 . . . . 74.54 112.336 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.6 m 63.01 89.91 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 72.02 110.865 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 33.9 m -75.69 -27.79 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 64.55 111.15 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -63.06 -29.13 73.42 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.692 -0.766 . . . . 74.22 112.476 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.59 -62.43 1.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.901 0.381 . . . . 75.01 110.931 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -67.11 -25.48 66.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 73.34 110.915 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.7 tp -69.23 -45.0 70.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.475 . . . . 71.33 110.968 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 45.0 ttp -57.63 -51.51 69.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 75.33 110.876 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -63.1 -25.31 68.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 71.54 110.907 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.7 m -76.9 -50.92 12.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 74.44 111.127 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.5 ttm -58.46 -37.47 75.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 74.42 110.888 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 4.3 t -61.52 -62.08 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 73.35 111.139 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.86 -49.48 76.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 63.54 110.945 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.9 t -55.88 -45.56 79.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 74.41 111.085 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.9 m -56.89 -37.6 71.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 73.24 111.138 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -65.51 -44.28 87.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 74.02 110.915 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.96 -48.86 69.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.5 . . . . 63.42 110.891 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 8.8 mm -57.39 -40.69 75.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 73.11 111.171 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 17.5 t -56.2 -42.24 72.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.492 . . . . 75.44 111.131 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -38.23 81.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 72.21 111.169 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.7 t -56.34 -57.37 12.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 74.21 110.895 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 83.2 t -63.18 -26.58 41.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 74.41 111.12 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.26 -30.78 70.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 72.04 110.916 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 91.2 t -82.66 -32.45 10.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 70.52 111.109 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.1 tp -76.6 -62.49 1.61 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 73.44 110.911 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 61.0 m-20 -110.81 166.26 11.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 75.34 110.908 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.6 p -116.86 139.58 43.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 73.43 111.14 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -163.63 118.3 1.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 74.14 110.863 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 25.1 m80 -137.26 129.28 29.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 75.21 110.846 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.7 mtm180 -83.08 99.83 10.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 72.03 110.888 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.2 p -171.11 160.58 5.4 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.67 0.748 . . . . 75.14 110.878 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -42.49 3.4 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.705 2.27 . . . . 75.23 112.347 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -133.22 155.41 49.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 73.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 77.1 p -98.69 164.01 12.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 70.5 111.124 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 15.5 t-160 -127.31 -73.74 0.6 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 72.44 110.844 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 22.2 p -138.41 177.9 7.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 74.1 111.12 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -94.42 -63.42 1.02 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.782 -0.723 . . . . 64.32 112.509 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 93.85 66.65 1.05 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.791 -0.719 . . . . 73.32 112.516 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -110.61 53.21 0.59 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 65.33 112.494 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -98.95 -135.47 8.92 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.716 -0.754 . . . . 72.15 112.486 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -101.8 15.53 56.87 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 51.42 112.511 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.24 -35.99 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.827 0.346 . . . . 74.3 111.115 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -52.99 -44.25 67.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 74.51 110.856 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -51.5 69.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 74.22 110.878 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.1 mp -53.5 -34.08 56.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 73.51 110.886 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -72.11 -29.9 64.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 75.03 110.89 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.95 -46.65 56.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.499 . . . . 74.3 110.908 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -53.17 -55.78 21.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 74.21 110.885 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 23.2 pt -60.84 -29.98 46.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 74.05 111.142 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -75.74 -26.65 57.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 74.5 110.859 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 94.7 t -81.07 -37.72 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 75.44 111.072 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -67.36 -31.58 71.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 72.04 110.889 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 10.4 p -81.62 -34.07 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 71.14 111.107 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.3 -20.68 40.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 73.12 110.86 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.9 t -83.93 -55.71 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 73.51 111.12 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -57.02 -42.2 79.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 65.32 110.861 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -70.07 -58.44 6.16 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 64.54 112.486 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 99.7 m -57.28 -60.25 3.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.743 0.306 . . . . 71.33 111.1 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 40.2 mm -54.53 -26.82 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 74.23 111.132 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -58.12 -60.15 9.49 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.741 . . . . 52.34 112.504 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 10.0 ptt? -81.69 -23.46 36.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.778 0.323 . . . . 75.43 110.892 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -72.12 -14.0 61.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 73.43 110.874 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 1.3 mt -79.21 -19.2 51.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 64.54 110.887 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.511 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 0.8 OUTLIER -51.27 -58.58 10.13 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.594 0.711 . . . . 63.14 110.923 179.903 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 131' ' ' GLN . 53.5 Cg_endo -69.83 150.98 68.52 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.672 2.248 . . . . 71.53 112.318 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -66.89 -26.37 66.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 74.13 110.879 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -173.05 -179.06 1.92 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 71.11 110.869 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -73.15 -17.95 61.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 74.53 110.916 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 56.21 85.12 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 71.5 110.859 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 71.34 110.9 -179.939 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.828 0.347 . . . . 74.15 110.845 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -123.83 98.35 5.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 74.42 111.078 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -98.45 27.79 4.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 54.53 110.882 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -114.1 22.0 14.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.483 . . . . 75.32 110.851 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.517 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 3.7 tt0 -61.32 -58.37 19.23 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.597 0.713 . . . . 73.11 110.924 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.2 Cg_endo -69.74 -26.92 27.18 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.66 2.24 . . . . 63.42 112.346 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.01 -21.9 43.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 72.44 110.946 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -77.26 -30.28 54.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 74.31 110.857 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -65.04 -58.71 5.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 74.43 110.941 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.0 t -52.72 -39.51 62.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 61.2 111.164 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.7 mm -62.19 -43.3 97.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 72.02 111.092 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -68.19 -13.35 62.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 75.11 110.865 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -88.96 -25.2 22.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 74.25 110.908 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.8 mm -78.97 -31.35 14.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 75.23 111.149 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.533 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 1.6 mt -52.37 -57.49 15.26 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.617 0.722 . . . . 75.22 111.121 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.8 Cg_endo -69.71 -35.31 13.03 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.677 2.251 . . . . 75.42 112.395 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 39.9 t -55.68 -57.41 12.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 74.13 110.878 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.6 t -65.25 -31.66 54.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 61.03 111.116 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.91 -35.34 78.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 74.24 110.919 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.4 mt -64.65 -42.21 94.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 75.24 111.147 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.2 m -59.16 -47.18 86.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 72.32 111.178 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.67 -45.43 66.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 72.32 110.882 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -52.06 -53.33 43.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 74.5 110.903 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.38 -43.94 84.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 74.33 111.111 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 60.9 mt -60.91 -43.5 95.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 73.44 111.124 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.1 -28.81 69.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 75.42 110.912 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 20.3 t -73.85 -40.03 52.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 75.44 111.15 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -70.47 -37.21 74.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 74.22 110.899 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -80.42 -24.37 39.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 74.12 110.883 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.9 mp -142.04 71.91 23.16 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.61 0.719 . . . . 73.12 110.944 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 161.29 46.5 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.723 2.282 . . . . 72.51 112.338 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -120.3 -171.89 2.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 71.2 110.882 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -101.49 -18.79 15.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 75.03 110.873 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.56 -18.41 59.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 74.15 110.885 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 92.84 56.9 1.46 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.7 -0.762 . . . . 74.54 112.514 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -63.1 -19.53 64.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.897 0.379 . . . . 75.51 110.857 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.49 -47.51 83.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 72.13 110.89 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.72 -35.12 62.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 71.33 110.875 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.66 -31.52 72.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.425 . . . . 60.43 111.166 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.03 -46.94 49.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 75.1 110.925 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.8 t -56.24 -38.83 71.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 65.24 110.912 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 18.2 mt -72.12 -33.32 46.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 65.24 111.11 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.9 t -73.29 -60.17 2.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.458 . . . . 75.13 110.839 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.8 p -52.29 -30.44 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 75.31 111.129 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.6 tt -70.76 -46.69 62.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 74.15 110.902 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.3 -36.92 71.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 75.02 110.9 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.6 -47.61 84.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 74.23 111.051 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.1 tp -54.23 -46.86 72.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 72.53 110.897 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.53 -35.35 80.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 63.51 111.13 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 43.3 t -62.39 -39.67 85.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.43 . . . . 73.21 111.127 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -66.29 -42.74 87.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 75.33 110.885 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.97 -50.63 66.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 75.52 110.925 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.11 -28.63 68.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 75.23 110.941 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.74 -56.07 23.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 74.21 110.888 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.2 mp -67.82 -36.5 76.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 71.21 111.136 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.65 -48.09 66.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 73.32 110.893 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.98 -21.49 37.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.092 -0.504 . . . . 73.31 110.888 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 18.9 mt 65.91 111.77 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 64.12 111.139 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.7 t -119.18 73.04 13.31 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.636 0.731 . . . . 61.05 111.158 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 167.79 23.33 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.696 2.264 . . . . 73.33 112.375 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 -32.89 17.27 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.678 2.252 . . . . 71.54 112.318 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.6 t -161.78 31.02 0.13 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.232 -0.44 . . . . 73.1 111.105 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.8 t 62.93 103.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 74.04 110.86 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.2 t -160.68 -72.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 61.11 110.888 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -169.97 177.14 4.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 73.02 110.847 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -159.29 160.55 28.43 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.674 0.75 . . . . 74.2 110.83 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 179.42 3.69 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.697 2.265 . . . . 64.45 112.369 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.04 103.17 15.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 75.2 110.84 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.4 p -61.71 -19.34 20.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 75.11 111.139 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -57.98 -34.74 73.22 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 74.41 112.46 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -63.76 -65.88 0.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 63.42 110.855 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -57.03 -43.94 82.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 73.32 110.898 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 19.8 tp -56.0 -41.9 75.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 74.43 110.932 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 29.1 ttp -54.23 -48.71 70.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 73.34 110.853 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -72.96 -32.06 64.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 74.32 110.878 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.3 m -62.04 -56.05 22.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 74.12 111.125 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.2 mmt -55.32 -41.71 72.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 70.51 110.913 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 3.6 t -54.29 -61.53 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 74.12 111.102 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.48 -42.52 92.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 62.51 110.9 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.8 t -56.48 -44.1 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 72.34 111.135 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 m -58.12 -43.35 87.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 71.14 111.131 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -65.32 -28.53 69.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 74.44 110.896 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.1 m -73.03 -49.28 29.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 75.31 110.802 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 40.8 mm -63.93 -36.69 77.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 74.13 111.101 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 3.6 t -57.9 -54.55 30.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 73.34 111.155 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 91.0 m -66.41 -39.33 88.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 74.23 111.141 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.2 m -58.35 -44.23 88.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 73.44 110.83 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 78.3 t -70.23 -29.92 41.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 73.3 111.127 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.58 -30.06 56.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 74.22 110.903 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 52.6 t -80.32 -36.79 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 72.44 111.126 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.66 -17.21 64.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 71.01 110.94 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -64.87 -56.36 13.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 75.02 110.919 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -177.19 157.57 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 71.11 111.104 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -166.51 61.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 73.04 110.848 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -152.28 -54.36 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 74.2 110.831 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -128.94 128.79 44.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.437 . . . . 75.3 110.83 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.68 160.56 47.05 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.679 0.752 . . . . 73.32 110.833 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -40.15 5.63 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.672 2.248 . . . . 74.32 112.357 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.93 136.77 54.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 75.44 110.918 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 11.6 t -155.69 144.81 20.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 60.43 111.101 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 7.3 m80 -124.01 56.66 1.23 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 75.1 110.89 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.16 -176.82 4.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 75.02 111.135 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 169.64 41.42 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.692 -0.766 . . . . 63.12 112.479 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -174.42 -69.0 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.703 -0.76 . . . . 72.34 112.452 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -144.11 171.53 25.57 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.746 . . . . 60.33 112.486 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -73.32 95.83 0.78 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.712 -0.756 . . . . 53.31 112.515 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -90.77 -38.14 6.22 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.752 -0.737 . . . . 73.55 112.457 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.18 -36.01 16.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.86 0.362 . . . . 72.41 111.162 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -71.52 -58.01 3.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 74.53 110.864 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -52.27 -34.32 45.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 75.24 110.914 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.7 tp -60.63 -59.38 5.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 72.11 110.901 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.01 -24.56 67.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 65.41 110.897 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.92 -44.93 75.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 74.54 110.929 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -79.59 -42.13 25.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 74.41 110.961 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 1.1 tt -56.31 -24.67 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 72.45 111.142 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -81.08 -59.2 2.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 73.51 110.885 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 37.3 t -52.79 -28.74 13.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 75.4 111.147 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -70.32 -57.08 5.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 74.03 110.875 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 11.1 p -64.45 -25.63 38.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.109 -0.496 . . . . 73.55 111.104 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 62.8 m -79.07 -57.37 3.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 75.23 110.89 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.7 p -59.61 -23.36 25.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 74.05 111.165 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -74.6 -48.5 26.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 74.2 110.886 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -70.97 -40.05 63.14 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.73 . . . . 64.03 112.496 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 31.7 p -65.67 -60.0 3.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.817 0.341 . . . . 74.41 111.141 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 26.7 mm -57.98 -24.79 24.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 74.14 111.16 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -61.84 -58.04 14.73 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.702 -0.761 . . . . 73.0 112.506 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 8.3 ptp -81.75 -25.11 35.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.791 0.329 . . . . 75.04 110.824 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -71.35 -51.32 24.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 71.21 110.926 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -88.9 2.02 54.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 74.54 110.902 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.517 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 1.4 tt0 -53.3 -58.48 12.44 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.613 0.721 . . . . 74.51 110.937 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 131' ' ' GLN . 53.5 Cg_endo -69.73 150.96 69.06 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.676 2.251 . . . . 72.33 112.329 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -66.91 -26.34 66.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 72.21 110.955 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -174.53 -77.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 75.3 110.88 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -110.68 -31.49 7.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 72.42 110.91 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 56.03 92.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 62.14 110.892 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 70.12 110.876 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.863 0.363 . . . . 73.04 110.877 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -124.48 85.6 2.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 75.31 111.11 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -123.05 8.72 9.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.192 -0.458 . . . . 62.22 110.89 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -99.43 42.2 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 75.21 110.93 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.519 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 5.3 tt0 -55.43 -58.43 15.4 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.647 0.737 . . . . 74.31 110.888 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.6 Cg_endo -69.79 -34.36 14.64 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.706 2.271 . . . . 74.4 112.34 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.78 -20.71 66.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 75.42 110.888 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -83.0 -32.71 26.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 75.4 110.882 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.19 -50.44 63.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 72.43 110.932 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.8 t -51.89 -41.66 62.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 74.54 111.181 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 80.6 mt -61.76 -41.44 90.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 71.42 111.098 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -70.38 -11.15 60.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 71.51 110.83 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.89 -27.77 20.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 74.45 110.939 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.5 mm -79.29 -30.48 14.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 73.41 111.142 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.526 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 1.4 mm -51.81 -57.45 14.73 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.609 0.718 . . . . 74.54 111.138 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 54.0 Cg_endo -69.78 -38.23 8.03 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.688 2.258 . . . . 74.05 112.368 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -52.02 -56.84 11.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 75.24 110.915 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 61.4 t -65.97 -46.31 88.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 63.51 111.113 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -52.44 -43.64 65.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 74.41 110.909 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 9.6 mt -56.77 -48.39 81.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 73.21 111.173 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.97 -55.5 12.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.193 -0.458 . . . . 74.34 111.153 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.72 -37.19 58.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 72.01 110.907 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.8 mt -64.33 -39.38 93.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.092 -0.504 . . . . 71.53 110.958 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.7 -32.38 60.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 62.14 111.139 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 55.1 mt -74.15 -48.94 35.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 75.53 111.107 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.4 mp -53.94 -51.74 62.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.183 -0.462 . . . . 73.4 110.907 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 5.2 t -53.06 -51.51 37.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 65.41 111.152 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -62.97 -20.68 65.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 74.32 110.906 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -85.93 -32.97 21.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 72.43 110.92 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.0 mp -128.41 68.81 78.01 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.579 0.704 . . . . 73.44 110.921 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 120.86 7.58 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.666 2.244 . . . . 74.4 112.386 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.19 175.11 5.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 72.43 110.862 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -100.09 19.07 17.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.11 -0.496 . . . . 65.24 110.896 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.1 t -100.48 -9.8 21.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 74.11 110.879 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 92.41 44.29 4.06 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.701 -0.761 . . . . 72.1 112.493 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -68.25 -21.52 64.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.898 0.38 . . . . 60.13 110.865 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.79 -45.76 91.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 74.04 110.887 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 7.5 ttt -73.67 -43.06 60.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 75.13 110.862 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 74.5 m -56.3 -41.44 75.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.256 -0.429 . . . . 74.41 111.18 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.44 -39.65 92.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 64.14 110.955 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 42.6 t -53.04 -46.04 68.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 70.55 110.862 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 12.9 mm -69.11 -33.2 57.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 74.33 111.105 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.49 -56.37 16.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 73.34 110.885 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.2 t -53.3 -40.37 39.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 70.12 111.107 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.0 tt -58.44 -41.6 85.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 75.43 110.883 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.5 -43.02 79.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 75.2 110.911 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.88 -45.16 78.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 70.31 111.127 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -54.24 -43.31 70.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 65.02 110.876 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.11 -42.44 94.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 73.44 111.148 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 71.4 t -56.14 -46.29 81.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 74.41 111.108 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -54.98 -39.87 69.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 74.24 110.921 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.98 -55.67 28.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 73.31 110.952 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 18.0 mt -57.74 -34.49 69.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 74.43 110.948 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.01 -62.5 1.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 74.24 110.89 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.0 mp -74.51 -24.06 18.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 73.34 111.155 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.3 t -52.1 -33.34 39.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 74.33 110.854 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.38 -49.9 5.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 74.23 110.9 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 27.9 mm -150.5 131.91 5.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 74.21 111.147 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.1 m -51.18 156.27 1.94 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.616 0.722 . . . . 72.24 111.113 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 167.79 23.38 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.638 2.226 . . . . 61.51 112.365 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -21.5 33.17 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.667 2.244 . . . . 74.2 112.316 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.1 p -71.7 -17.58 62.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 73.31 111.149 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.1 m -86.7 106.24 17.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 55.23 110.868 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.4 t -113.33 -65.64 1.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 74.02 110.835 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -122.58 12.54 10.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 74.25 110.881 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.29 160.58 14.31 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.572 0.701 . . . . 55.45 110.911 -179.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 123.86 10.5 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.658 2.239 . . . . 74.34 112.328 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.0 m -114.91 -22.96 9.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 75.22 110.873 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.3 p -58.3 -25.28 26.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 72.11 111.117 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -79.51 -35.61 28.71 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.743 -0.741 . . . . 64.34 112.459 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.76 -60.39 3.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.84 0.353 . . . . 74.21 110.884 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -61.53 -48.85 79.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 74.32 110.942 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.7 tp -52.39 -35.93 52.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 75.24 110.925 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -60.08 4.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 73.11 110.885 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.17 -23.82 65.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 75.02 110.855 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 58.2 m -71.54 -53.89 12.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 72.45 111.16 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.1 mmt -61.48 -32.8 72.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 73.43 110.877 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 5.1 t -62.7 -57.54 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 62.25 111.136 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -65.21 -33.21 75.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 72.32 110.929 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.6 t -61.96 -39.06 82.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 71.31 111.137 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 55.3 m -66.42 -44.61 82.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.469 . . . . 70.31 111.117 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -24.03 67.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 64.34 110.891 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.05 -43.22 54.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 73.44 110.835 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 22.2 mm -58.57 -37.01 62.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 71.23 111.157 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 49.0 t -65.32 -46.73 89.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 73.42 111.101 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -69.88 -31.27 69.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 61.15 111.112 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.37 -61.47 2.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 74.12 110.883 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 11.7 p -64.51 -30.44 50.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.51 . . . . 70.44 111.156 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.17 -45.67 65.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 73.43 110.882 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.5 t -76.93 -28.28 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 71.01 111.166 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.24 -42.5 88.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 65.34 110.928 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -58.43 140.42 53.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 74.45 110.85 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.4 p -130.82 143.1 41.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 74.43 111.176 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -142.98 140.64 31.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 52.11 110.859 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 5.9 m80 -63.19 -69.97 0.24 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 74.54 110.827 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -65.61 169.79 5.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 75.33 110.839 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.22 160.55 59.28 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.681 0.753 . . . . 73.32 110.873 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -31.4 20.84 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.737 2.291 . . . . 74.13 112.356 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -176.48 144.75 0.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 75.12 110.94 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 8.1 p -55.01 172.28 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 74.23 111.14 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -164.01 157.0 17.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 75.3 110.822 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 4.9 p -95.44 17.38 14.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 73.31 111.099 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -179.86 127.48 1.13 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.757 -0.735 . . . . 73.24 112.461 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -74.74 132.06 13.57 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.701 -0.762 . . . . 71.24 112.509 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 105.16 168.36 24.0 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.772 -0.727 . . . . 73.55 112.494 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -148.29 -175.46 20.93 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.731 . . . . 65.41 112.478 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -109.88 -3.14 30.21 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.768 -0.73 . . . . 63.21 112.487 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.15 -36.08 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.82 0.343 . . . . 74.31 111.121 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -74.32 -41.14 61.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 74.11 110.873 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 1.5 mtt85 -65.2 -36.1 83.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 75.44 110.922 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.07 -44.39 96.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 75.04 110.957 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -67.94 -24.74 65.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 71.52 110.887 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.54 -44.39 51.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 74.11 110.926 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 23.0 t90 -56.12 -44.11 78.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.464 . . . . 74.51 110.929 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 38.6 pt -72.66 -24.89 21.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 74.35 111.094 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.28 -38.16 81.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 75.54 110.902 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 67.9 t -71.28 -41.73 74.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 75.33 111.115 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -57.39 -56.0 27.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 72.21 110.82 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 11.4 p -58.71 -32.2 46.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 72.1 111.116 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.35 -46.2 61.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 75.45 110.885 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 37.5 t -66.39 -62.31 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 74.32 111.11 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -57.52 -28.94 63.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 73.31 110.872 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -70.29 -57.0 7.12 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.777 -0.725 . . . . 75.24 112.512 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 41.5 p -54.87 -48.41 72.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.781 0.324 . . . . 75.1 111.118 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 94.1 mt -66.12 -28.57 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 75.11 111.167 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -72.03 -46.09 38.0 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 42.51 112.531 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 23.4 ptp -75.54 -24.01 56.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.799 0.333 . . . . 74.41 110.87 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -83.8 -34.41 24.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 71.14 110.922 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -100.1 1.5 42.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.494 . . . . 74.5 110.949 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.507 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 1.8 tt0 -56.52 -58.47 16.86 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.622 0.725 . . . . 74.43 110.94 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 131' ' ' GLN . 53.7 Cg_endo -69.74 150.99 69.07 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.658 2.239 . . . . 75.32 112.336 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -66.81 -26.4 66.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 74.43 110.913 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -174.29 -77.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 75.51 110.918 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -110.66 -28.37 8.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 71.42 110.919 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 55.41 84.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 72.41 110.86 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 74.54 110.893 -179.958 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 10.2 t30 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.888 0.375 . . . . 74.02 110.887 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -128.78 14.19 6.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 73.21 111.118 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -126.42 49.23 2.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 75.0 110.934 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -98.23 12.24 35.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 71.42 110.844 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.509 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 1.9 tt0 -57.56 -58.36 18.83 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.619 0.723 . . . . 71.34 110.9 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.4 Cg_endo -69.79 -20.53 34.59 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.726 2.284 . . . . 74.42 112.339 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.28 -17.46 62.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 74.11 110.933 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -78.56 -25.5 45.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 72.51 110.936 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -66.7 -57.18 7.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 75.33 110.924 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.1 t -53.13 -39.65 63.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.498 . . . . 74.14 111.104 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 61.6 mt -60.05 -45.68 95.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 72.34 111.144 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -67.16 -14.79 63.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 74.1 110.888 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.28 -23.54 23.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 73.24 110.966 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.3 mp -79.21 -32.26 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 75.21 111.113 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.529 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 2.3 mt -51.98 -57.46 14.91 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.613 0.721 . . . . 71.24 111.143 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.9 Cg_endo -69.76 -34.68 14.1 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.698 2.265 . . . . 70.34 112.336 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -53.84 -56.86 13.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 73.21 110.869 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.6 t -62.47 -42.01 94.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 73.35 111.153 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.83 -45.7 85.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 73.03 110.921 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 5.1 mt -52.7 -50.63 40.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 71.3 111.11 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.1 m -55.28 -45.47 76.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 75.02 111.109 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.2 p -54.59 -41.84 70.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 71.0 110.846 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.5 mt -53.43 -56.47 16.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 74.43 110.874 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.05 -41.21 67.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 70.41 111.13 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 51.1 mt -65.58 -36.06 76.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 73.3 111.138 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -44.45 92.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 74.11 110.906 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 31.2 t -60.23 -36.98 71.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 73.44 111.128 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -74.9 -18.13 60.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 74.41 110.888 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -96.04 -21.34 18.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 72.33 110.901 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.6 mp -130.13 72.98 81.75 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.552 0.692 . . . . 75.12 110.871 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 142.34 47.7 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.684 2.256 . . . . 75.43 112.328 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.43 162.69 37.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 72.34 110.886 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.6 p30 -98.48 45.32 1.01 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 73.42 110.879 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.23 0.62 21.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 74.11 110.868 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.4 24.64 58.6 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.732 -0.747 . . . . 75.2 112.486 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.99 -35.34 78.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.855 0.36 . . . . 74.33 110.878 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.21 -51.06 65.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 74.15 110.916 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.8 mtt -67.12 -42.39 84.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 75.25 110.881 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 55.1 m -59.4 -38.75 81.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 73.51 111.155 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.38 -47.91 84.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 75.14 110.947 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.6 t -58.67 -32.73 69.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 74.11 110.871 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 51.3 mt -75.37 -30.91 23.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 74.32 111.113 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.53 -55.2 7.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 65.43 110.889 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.2 p -61.48 -25.35 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 75.0 111.128 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.3 tt -75.02 -53.78 8.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 75.11 110.92 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.1 -51.39 58.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 74.43 110.927 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.13 -42.45 69.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 64.02 111.096 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.63 -47.84 75.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 74.33 110.929 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.7 m -69.52 -29.91 67.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 75.22 111.133 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 23.6 t -68.63 -32.96 57.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 73.13 111.098 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -69.62 -49.38 54.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 75.33 110.917 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.59 -59.25 4.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 65.43 110.923 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.7 tp -52.56 -37.74 58.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 71.31 110.921 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.88 -65.99 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 74.1 110.921 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.9 mp -70.98 -21.1 22.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 64.31 111.104 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.7 t -48.69 -41.17 30.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 72.12 110.893 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.0 ptmt -95.41 -22.67 17.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 65.31 110.87 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.8 mt -119.81 62.18 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 73.12 111.09 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.9 m -50.83 156.58 1.6 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.61 0.719 . . . . 70.11 111.12 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 167.76 23.6 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.648 2.232 . . . . 74.41 112.335 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -13.76 35.17 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.682 2.255 . . . . 74.22 112.334 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.03 86.01 2.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 65.03 111.167 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.61 119.3 35.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 75.33 110.843 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.9 t -164.16 -73.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 63.32 110.859 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -129.07 -53.94 1.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 74.01 110.864 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.9 t -117.44 70.33 6.26 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.65 0.738 . . . . 73.44 110.893 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 157.01 61.84 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.663 2.242 . . . . 64.44 112.324 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.94 -50.33 73.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 72.3 110.848 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.9 p -54.05 -30.96 20.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 63.53 111.164 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -79.65 -42.72 11.02 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.768 -0.729 . . . . 73.23 112.459 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -55.24 -55.96 25.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.842 0.353 . . . . 71.22 110.88 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -64.25 -32.44 74.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 71.43 110.882 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 38.5 tp -65.94 -45.85 80.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 75.33 110.932 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.89 -45.64 71.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 74.32 110.93 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -65.97 -33.24 75.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 73.51 110.879 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 51.7 m -74.0 -29.43 61.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 74.04 111.166 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 5.5 mmt -65.77 -55.01 19.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 71.42 110.858 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 22.3 m -62.17 -27.48 42.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 75.21 111.137 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.21 -57.53 3.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 72.32 110.894 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -61.41 -21.0 24.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 74.22 111.126 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.0 m -69.59 -51.82 31.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 72.35 111.115 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -59.06 -37.01 76.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 72.32 110.866 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.8 t -60.48 -45.96 91.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 71.21 110.868 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.7 mm -57.34 -48.45 82.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 63.43 111.15 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 53.9 t -56.31 -39.81 62.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 73.35 111.123 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.63 -27.52 64.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 63.13 111.113 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.4 m -66.08 -43.74 86.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 71.54 110.851 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 93.8 t -78.45 -40.11 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 74.12 111.122 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 34.9 t -54.86 -40.45 69.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 51.43 110.882 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 74.3 t -71.19 -43.35 75.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 72.32 111.129 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -57.55 -41.97 82.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 72.1 110.936 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -174.92 149.13 1.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 75.53 110.887 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.4 p -69.18 142.4 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 74.1 111.143 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -137.39 119.6 15.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 73.44 110.859 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -78.73 133.32 37.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 74.14 110.89 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.32 168.98 17.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 75.51 110.838 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.08 160.54 0.12 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.662 0.744 . . . . 63.01 110.845 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -43.48 2.67 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.688 2.259 . . . . 74.23 112.346 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -112.15 176.5 4.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 74.52 110.904 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 81.6 p -82.73 165.07 20.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 72.51 111.162 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -125.37 -64.99 1.04 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 75.54 110.904 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.11 141.41 32.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 74.43 111.162 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -61.26 -63.85 4.54 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.773 -0.727 . . . . 65.12 112.514 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 95.61 -152.53 20.38 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.684 -0.77 . . . . 63.41 112.478 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 154.79 -156.46 26.91 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.716 -0.754 . . . . 72.24 112.453 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -85.8 155.88 29.54 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.769 -0.729 . . . . 72.24 112.523 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 96.82 -14.67 63.76 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.773 -0.727 . . . . 72.3 112.485 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.2 -35.99 16.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.853 0.359 . . . . 75.32 111.139 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -61.84 -55.06 33.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 60.41 110.907 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.49 -30.67 61.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 74.22 110.838 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.1 mt -65.8 -46.12 79.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 73.3 110.85 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.0 -24.59 66.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 71.24 110.884 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.3 mp -68.23 -43.64 77.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 74.21 110.909 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 7.1 t-105 -80.13 -42.23 23.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 71.44 110.954 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 1.1 tt -56.3 -24.81 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 74.0 111.147 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.09 -59.12 2.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 75.14 110.914 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 65.5 t -53.27 -28.28 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 75.41 111.116 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -70.34 -59.43 2.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 74.1 110.878 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 11.3 p -62.75 -23.06 31.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 74.42 111.14 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -79.55 -51.72 8.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 73.42 110.866 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 25.4 t -61.27 -43.24 96.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 74.34 111.173 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -60.44 -61.86 2.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 64.43 110.873 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -55.44 -46.74 79.57 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 62.21 112.469 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 39.7 m -58.62 -60.85 3.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.764 0.316 . . . . 71.32 111.129 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 23.2 mt -52.74 -33.22 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 74.14 111.108 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -57.41 -60.56 8.79 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.716 -0.754 . . . . 71.32 112.532 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 23.3 ptp -73.71 -23.23 59.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.78 0.324 . . . . 73.43 110.855 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -73.02 -14.33 61.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 73.32 110.905 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -79.39 -25.04 42.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 75.23 110.948 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.518 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 3.0 tt0 -53.86 -58.48 13.11 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.61 0.719 . . . . 75.41 110.912 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 131' ' ' GLN . 53.5 Cg_endo -69.73 150.93 69.04 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.696 2.264 . . . . 75.43 112.347 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -66.89 -26.34 66.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 62.34 110.887 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -175.35 178.91 1.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 75.44 110.88 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -62.48 -31.84 72.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 73.24 110.911 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 53.42 72.67 0.42 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 72.33 110.843 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 72.44 110.857 -179.921 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.9 t30 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.864 0.364 . . . . 62.5 110.903 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 58.59 94.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 65.43 111.107 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -125.82 35.33 4.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 63.42 110.867 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -109.08 10.03 26.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 73.51 110.91 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.521 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 3.1 tt0 -65.15 -58.4 12.59 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.619 0.723 . . . . 73.12 110.858 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.3 Cg_endo -69.77 -35.79 11.97 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.707 2.272 . . . . 72.51 112.317 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.37 -16.3 63.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 74.33 110.955 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -58.24 -23.1 54.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 72.54 110.879 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -73.15 -60.82 2.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 73.13 110.935 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.3 t -59.89 -38.34 81.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.074 -0.512 . . . . 73.34 111.13 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.6 mm -64.57 -45.77 94.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 65.21 111.149 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -67.89 -13.08 61.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 74.41 110.872 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.95 -24.85 22.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 73.23 110.938 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.4 mp -78.95 -32.14 15.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 74.12 111.109 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.535 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 2.2 mt -51.95 -57.5 14.71 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.608 0.718 . . . . 74.32 111.098 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.8 Cg_endo -69.71 -36.2 11.38 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.671 2.247 . . . . 74.32 112.369 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -52.58 -54.71 29.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 64.33 110.88 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 26.9 m -76.78 -35.04 23.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 71.32 111.095 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.9 tp -58.44 -44.5 89.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 73.21 110.93 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 13.2 mt -67.02 -42.55 88.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 75.1 111.14 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.5 m -52.35 -54.82 26.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 73.42 111.099 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.1 p -52.71 -42.87 65.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 61.25 110.867 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -61.48 -35.94 79.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 63.03 110.93 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.14 -29.9 54.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 74.01 111.104 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.8 mt -76.73 -43.63 33.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 74.13 111.102 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 86.8 mt -65.12 -32.08 73.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 71.34 110.956 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 5.4 t -68.89 -50.16 56.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 74.54 111.088 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -65.22 -20.64 66.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 73.51 110.87 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -77.68 -45.01 26.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.131 -0.486 . . . . 73.2 110.948 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 mp -89.95 160.71 40.15 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.608 0.718 . . . . 62.21 110.919 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 150.55 68.25 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.695 2.263 . . . . 65.31 112.352 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.2 t -79.51 152.44 30.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 61.52 110.884 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.54 -74.29 0.61 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.153 -0.476 . . . . 75.22 110.903 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.7 t -109.11 -11.61 14.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.224 -0.444 . . . . 71.51 110.873 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 134.41 38.4 0.2 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 70.15 112.514 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.79 -28.07 46.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.934 0.397 . . . . 64.03 110.922 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -65.62 -40.87 93.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 75.5 110.907 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.92 -42.32 70.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 71.41 110.917 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 69.9 p -60.57 -29.87 69.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 72.04 111.104 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.22 -41.37 66.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 74.43 110.896 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.9 t -53.84 -48.61 69.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 75.45 110.874 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 44.6 pt -71.66 -25.61 24.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 74.23 111.105 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.9 m -71.99 -54.55 9.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 64.34 110.878 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 27.5 t -51.67 -44.83 36.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 73.22 111.133 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 35.7 tp -67.52 -29.15 68.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.122 -0.49 . . . . 75.35 110.935 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.4 tp -55.66 -60.9 2.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 72.11 110.931 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.53 -43.52 72.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 64.14 111.045 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.51 -28.83 47.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 74.45 110.941 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.3 m -82.22 -34.34 28.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 74.32 111.16 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 91.5 t -51.84 -58.92 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 73.24 111.127 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -68.72 -41.79 78.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 70.32 110.886 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 41.4 tp -51.74 -37.33 50.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 62.23 110.895 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.1 tp -81.92 -32.74 30.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 73.11 110.959 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -51.72 -52.33 49.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 64.02 110.95 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.5 mp -80.55 -25.53 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 71.44 111.123 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.6 t -51.65 -31.98 27.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 55.32 110.886 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.3 ttpt -94.99 -50.09 5.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 74.51 110.909 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 29.5 mm -151.0 134.28 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 74.45 111.117 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.1 m -51.18 156.34 1.92 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.596 0.712 . . . . 72.11 111.151 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 167.72 23.58 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.7 2.267 . . . . 61.11 112.391 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -9.96 27.41 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.682 2.255 . . . . 72.31 112.367 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.43 -56.06 22.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 74.54 111.158 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.5 141.53 13.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.255 -0.429 . . . . 75.44 110.839 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.5 m -116.7 -5.89 11.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 65.02 110.879 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -107.42 -10.2 15.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.489 . . . . 75.45 110.892 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 83.6 p -171.84 70.13 0.46 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.635 0.731 . . . . 73.53 110.872 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 178.62 4.35 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.673 2.249 . . . . 74.15 112.346 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.8 m -145.59 24.83 1.37 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 63.43 110.882 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.2 p -56.12 -25.52 19.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.499 . . . . 71.41 111.128 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -76.34 -38.41 33.84 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.718 -0.753 . . . . 72.41 112.526 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -54.51 -55.57 27.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.847 0.356 . . . . 73.43 110.888 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -59.44 -47.79 84.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.487 . . . . 74.23 110.953 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.26 -31.29 63.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.09 -0.505 . . . . 74.53 110.913 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 1.8 tpp -63.36 -45.93 88.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 72.11 110.879 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -77.76 -36.95 50.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 72.33 110.831 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 59.9 m -64.74 -37.66 88.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 75.24 111.102 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.0 mmt -66.63 -49.88 64.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.273 -0.422 . . . . 74.4 110.891 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 17.6 t -53.48 -41.31 44.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 62.55 111.123 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.5 tp -74.61 -49.22 22.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 72.4 110.938 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 15.5 t -52.6 -49.03 46.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 72.1 111.158 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.2 m -54.65 -57.04 13.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 73.44 111.136 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.19 -26.03 62.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 74.41 110.88 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.4 t -71.76 -34.34 69.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 72.45 110.842 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 32.2 mm -69.73 -41.21 79.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.476 . . . . 75.23 111.12 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 74.8 t -63.95 -44.48 97.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 72.41 111.137 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 29.0 p -72.05 -29.6 64.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 75.04 111.151 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.41 -55.68 31.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 63.14 110.861 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 32.1 m -74.34 -22.76 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 74.53 111.105 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 35.2 t -60.82 -42.79 98.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 73.45 110.842 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.7 t -76.97 -43.76 32.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 73.31 111.135 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.1 tp -53.35 -52.7 58.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 64.22 110.907 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -131.19 129.01 41.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 60.43 110.878 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 11.0 p -86.42 144.53 9.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.162 -0.472 . . . . 72.14 111.129 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -120.36 179.23 4.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 74.23 110.857 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 62.79 163.83 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 74.22 110.879 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.05 124.15 0.74 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 74.52 110.872 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -140.78 160.53 58.32 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.625 0.726 . . . . 75.14 110.884 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -36.43 10.8 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.647 2.232 . . . . 74.01 112.341 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -133.72 151.36 51.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 74.43 110.841 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 39.7 p -107.26 151.48 25.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 73.32 111.172 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 -132.66 18.79 4.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 72.23 110.802 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 15.0 p -120.12 103.93 9.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 65.51 111.139 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 69.71 168.84 6.66 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.702 -0.761 . . . . 71.22 112.508 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -98.92 -58.08 0.95 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.761 -0.733 . . . . 54.31 112.487 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -103.79 -167.0 25.24 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.761 -0.733 . . . . 73.44 112.528 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -88.11 -149.21 17.46 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.733 -0.746 . . . . 72.23 112.454 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 96.87 8.3 57.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.72 -0.752 . . . . 75.53 112.518 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 3.5 tp -50.88 -48.22 28.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.82 0.343 . . . . 72.11 111.104 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -70.5 -21.0 62.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 71.14 110.886 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 5.1 mmt180 -75.31 -44.73 43.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 71.03 110.904 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -76.66 -41.69 44.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 71.22 110.912 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -56.47 -38.3 71.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 71.52 110.867 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.09 -45.08 74.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 71.43 110.95 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -59.29 -50.95 72.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 75.13 110.885 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 33.0 pt -64.5 -23.04 32.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 73.32 111.098 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -74.48 -41.87 59.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 73.41 110.874 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 8.5 t -69.88 -23.45 25.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 64.21 111.103 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -73.14 -57.05 4.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 64.33 110.904 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 2.7 p -53.73 -32.18 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 70.23 111.125 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 87.4 m -78.16 -54.17 6.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 74.14 110.873 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 11.5 t -54.0 -46.17 65.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 70.21 111.124 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -56.83 -50.12 73.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 72.22 110.874 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -64.55 -55.79 20.94 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.77 -0.729 . . . . 62.12 112.48 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 10.7 p -56.14 -63.05 1.31 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.794 0.331 . . . . 73.21 111.146 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 48.4 mm -55.73 -33.73 34.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 74.43 111.122 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -55.85 -53.01 44.93 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.756 -0.735 . . . . 63.55 112.43 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 24.6 ptp -79.84 -29.55 40.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.8 0.333 . . . . 73.02 110.896 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -68.85 -14.61 63.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 73.1 110.874 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.66 -0.1 52.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 71.24 110.901 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.518 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 2.5 tt0 -61.59 -58.53 17.83 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.57 0.7 . . . . 74.45 110.861 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 131' ' ' GLN . 53.6 Cg_endo -69.75 150.95 68.93 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.687 2.258 . . . . 61.52 112.305 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -66.95 -26.26 66.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 74.11 110.912 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -166.84 175.62 7.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 74.4 110.865 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -55.58 -29.55 59.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 73.22 110.863 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 57.97 74.96 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 74.44 110.86 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 71.34 110.851 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 49.1 m-20 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.789 0.328 . . . . 74.14 110.844 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -168.66 100.9 0.4 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 64.15 111.093 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -99.44 7.29 45.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 70.11 110.897 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -112.39 -5.27 14.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 74.1 110.905 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.509 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 5.3 tt0 -59.95 -58.47 19.13 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.657 0.741 . . . . 72.41 110.895 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.7 Cg_endo -69.76 -24.53 29.55 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.679 2.252 . . . . 72.15 112.374 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.5 -25.81 68.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.175 -0.466 . . . . 73.11 110.918 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -68.45 -25.68 65.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 73.34 110.891 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -69.48 -60.75 2.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.504 . . . . 72.03 110.907 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.2 t -52.71 -40.48 63.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 75.21 111.118 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.5 mt -57.66 -46.79 86.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 72.21 111.105 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.45 -14.6 63.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 74.35 110.868 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.96 -23.49 22.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 72.34 110.936 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.2 mp -78.28 -33.35 17.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 75.12 111.175 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.518 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 1.2 mm -51.84 -57.5 14.57 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.596 0.713 . . . . 74.43 111.115 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.7 Cg_endo -69.73 -32.28 19.02 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.703 2.268 . . . . 75.01 112.346 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.1 t -52.29 -58.84 5.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 72.44 110.886 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 29.2 m -66.54 -31.82 55.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 73.23 111.103 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.9 mt -63.76 -43.49 96.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 71.55 110.914 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 9.5 mt -61.49 -44.65 98.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 74.25 111.135 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -59.69 -49.06 79.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 73.01 111.129 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -34.61 58.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 75.1 110.86 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.66 -47.3 85.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 72.55 110.885 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.17 -35.55 81.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 54.51 111.119 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 22.6 mt -70.82 -45.49 73.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 73.22 111.149 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 35.9 mt -61.5 -27.55 68.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 63.13 110.877 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 75.7 t -73.7 -46.58 47.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 74.44 111.096 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -59.23 -33.34 70.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 75.44 110.898 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -80.74 -25.98 37.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.097 -0.501 . . . . 75.22 110.908 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.26 71.87 18.03 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.577 0.703 . . . . 64.41 110.947 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 119.31 6.28 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.67 2.247 . . . . 75.11 112.353 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 68.2 m -153.05 142.55 21.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 64.4 110.819 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.6 t0 63.13 167.68 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 71.24 110.877 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -101.14 -21.84 14.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 71.52 110.883 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.11 10.99 69.75 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 73.55 112.532 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -83.37 -44.96 14.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.934 0.397 . . . . 73.23 110.911 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.73 -32.22 59.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 65.1 110.861 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.15 -58.9 3.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 72.31 110.907 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.99 -25.05 64.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 72.21 111.123 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.4 tp -64.45 -55.84 18.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.281 -0.418 . . . . 72.11 110.89 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.8 t -53.14 -41.85 65.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 72.21 110.881 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 3.6 mt -70.46 -42.58 78.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 64.21 111.119 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.48 -60.1 4.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.142 -0.481 . . . . 75.25 110.875 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 24.2 t -52.19 -36.79 21.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.501 . . . . 73.44 111.139 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.3 mt -59.67 -44.95 93.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 74.02 110.887 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.2 tt -59.84 -52.61 64.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 75.54 110.915 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.79 -36.36 72.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 70.2 111.094 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -73.39 -36.12 66.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 75.21 110.897 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 30.9 m -67.93 -37.6 81.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 72.34 111.119 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 23.3 t -63.71 -42.17 95.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 71.13 111.101 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -75.13 -38.51 61.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 75.54 110.862 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.3 tt -64.41 -58.43 6.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 73.51 110.883 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 18.8 mt -53.2 -37.55 62.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 73.3 110.956 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.3 tt -54.42 -53.37 54.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 74.35 110.887 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.2 mp -64.21 -37.04 78.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 72.12 111.152 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.0 t -66.95 -25.01 66.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 72.44 110.86 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.59 -9.98 36.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.493 . . . . 74.13 110.905 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 22.5 mm 65.92 111.9 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 74.33 111.172 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.9 t -140.45 70.23 32.42 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.609 0.719 . . . . 73.41 111.078 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 167.74 23.63 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.684 2.256 . . . . 74.43 112.338 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -44.6 1.99 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.684 2.256 . . . . 65.01 112.324 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -176.36 -37.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 74.11 111.159 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 88.5 p -123.43 131.07 53.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 75.5 110.863 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.1 p -132.9 165.03 25.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 72.03 110.852 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -177.4 -42.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 75.01 110.878 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 43.6 m -149.83 71.35 9.58 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.694 0.759 . . . . 74.44 110.854 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 163.55 37.86 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.709 2.273 . . . . 73.41 112.345 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.2 t -124.69 20.32 8.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 75.2 110.894 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 22.1 m -69.3 -30.14 44.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 74.33 111.166 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -67.81 -33.97 81.48 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.711 -0.757 . . . . 75.12 112.514 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -68.96 -63.54 1.04 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.895 0.378 . . . . 74.3 110.933 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -52.85 -42.84 65.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 74.31 110.909 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 58.4 tp -59.74 -35.13 73.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.481 . . . . 73.13 110.934 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -50.47 73.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 73.34 110.925 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -72.8 -22.94 60.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 74.31 110.895 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.9 m -76.73 -42.92 39.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 74.23 111.117 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -38.83 92.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 71.21 110.9 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 3.4 t -61.29 -54.67 31.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 75.43 111.147 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -50.64 69.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 72.3 110.912 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 26.4 t -54.93 -40.46 53.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 75.41 111.116 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 m -61.6 -34.49 75.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 73.04 111.137 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.28 -52.65 64.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 72.2 110.9 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.5 -49.85 63.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 75.01 110.842 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 48.0 mm -60.48 -36.53 70.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 74.4 111.103 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 36.1 t -64.37 -36.07 76.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 74.22 111.122 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 7.3 m -71.76 -38.3 70.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 72.32 111.137 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.9 p -73.47 -36.62 65.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 75.02 110.865 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 39.6 t -65.71 -31.03 51.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 73.24 111.116 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.66 -36.3 23.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.166 -0.47 . . . . 71.44 110.878 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.2 t -73.54 -44.13 54.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 61.11 111.093 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.7 tp -56.2 -57.71 11.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 54.14 110.9 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -151.14 149.5 29.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 74.01 110.881 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 1.4 p -160.02 158.25 2.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 73.11 111.142 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 43.5 m80 -150.44 97.23 2.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 73.01 110.909 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 26.9 t60 -160.15 90.82 0.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 73.23 110.826 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 8.3 mtt-85 -86.81 130.16 34.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 75.52 110.834 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.24 160.56 30.8 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.655 0.741 . . . . 75.11 110.876 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -42.29 3.55 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.645 2.23 . . . . 74.43 112.331 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -128.74 132.92 47.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 73.11 110.879 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 39.2 p -120.3 161.85 20.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 75.01 111.129 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -66.72 118.76 10.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 75.43 110.883 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.18 126.81 28.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 75.25 111.175 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -174.76 73.57 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.71 -0.757 . . . . 74.3 112.46 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -179.91 -42.97 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.722 -0.751 . . . . 73.44 112.45 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 82.99 33.91 22.65 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.705 -0.759 . . . . 72.24 112.531 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 99.9 -177.4 29.04 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.709 -0.758 . . . . 62.0 112.505 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 64.72 18.34 63.82 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.766 -0.73 . . . . 71.32 112.456 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.17 -35.98 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.824 0.345 . . . . 74.51 111.152 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -70.52 -49.01 52.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.471 . . . . 61.14 110.862 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.0 -31.18 60.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 75.42 110.807 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.99 -50.94 52.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 65.32 110.928 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.1 -24.56 65.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 72.45 110.878 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.2 -43.03 78.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 71.41 110.947 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 9.3 t90 -80.28 -42.51 22.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.904 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 1.1 tt -56.25 -24.73 18.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.284 -0.416 . . . . 72.35 111.185 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.13 -59.01 2.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 72.51 110.884 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 40.2 t -51.72 -29.95 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 71.55 111.175 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -69.8 -58.5 3.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 71.43 110.891 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 13.5 p -63.26 -28.0 44.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 74.21 111.107 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -73.63 -34.65 65.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 64.13 110.915 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 5.3 t -64.19 -57.64 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 71.44 111.124 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -67.85 -26.97 66.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 73.15 110.874 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -72.74 -54.07 7.7 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.745 -0.741 . . . . 74.21 112.456 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 2.3 m -67.11 -59.28 3.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.727 0.299 . . . . 75.41 111.12 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 96.5 mt -56.05 -32.65 34.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 75.42 111.139 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -56.26 -60.24 9.28 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.773 -0.727 . . . . 62.43 112.443 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 18.4 ptp -74.57 -27.75 60.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.831 0.348 . . . . 74.31 110.87 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -72.14 -14.97 61.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 72.04 110.86 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -85.16 -4.17 59.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 71.21 110.909 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.508 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 0.8 OUTLIER -51.28 -58.61 10.0 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.592 0.71 . . . . 72.15 110.887 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 131' ' ' GLN . 54.3 Cg_endo -69.73 154.06 68.33 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.694 2.263 . . . . 73.04 112.371 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -85.08 -26.63 26.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 75.42 110.977 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 180.0 -77.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 75.25 110.91 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -117.29 -28.05 6.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 71.04 110.868 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -83.12 55.73 3.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 71.13 110.892 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 75.44 110.904 -179.941 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.798 0.332 . . . . 74.43 110.875 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.22 108.42 0.69 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 71.35 111.149 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -110.89 25.81 11.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 70.52 110.903 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 54.98 90.91 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 73.45 110.888 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.49 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 5.9 tt0 178.56 -59.2 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.63 0.729 . . . . 74.0 110.878 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.9 Cg_endo -69.78 -22.72 31.58 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.681 2.254 . . . . 75.41 112.375 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.51 -38.49 71.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 70.23 110.914 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -82.18 -22.16 36.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 71.41 110.851 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -71.32 -53.39 14.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 72.45 110.915 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.6 t -52.09 -40.58 61.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 72.21 111.162 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 69.6 mt -66.38 -34.41 69.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 74.11 111.14 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -74.18 -14.23 60.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 72.52 110.896 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -88.94 -27.05 21.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 64.44 110.895 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.0 mm -79.35 -30.42 13.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 75.21 111.152 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.525 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 1.4 mm -52.13 -57.44 15.17 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.63 0.728 . . . . 74.41 111.144 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.2 Cg_endo -69.84 -37.73 8.59 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.644 2.229 . . . . 72.45 112.348 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -52.47 -58.87 5.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 74.1 110.88 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 32.7 m -68.14 -23.06 28.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 74.31 111.146 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.3 mt -68.64 -56.36 8.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 74.22 110.879 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 32.0 mm -53.65 -46.91 61.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 73.2 111.128 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 91.7 m -52.72 -51.82 58.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 74.34 111.127 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 p -53.59 -38.7 64.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 61.31 110.894 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.7 tt -55.03 -43.54 73.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.102 -0.499 . . . . 62.34 110.913 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.11 -30.72 70.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 74.13 111.126 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.3 mt -75.01 -42.24 45.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 72.04 111.131 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.05 -32.84 70.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 74.43 110.939 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 49.6 t -75.34 -50.96 22.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 74.13 111.128 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -61.11 -28.8 69.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 74.21 110.864 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -81.96 -45.31 15.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 75.24 110.933 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.4 mp -124.41 70.38 54.44 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.58 0.705 . . . . 73.42 110.869 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 119.11 6.11 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.714 2.276 . . . . 73.31 112.307 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.77 -19.66 15.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 61.33 110.891 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -130.15 176.02 8.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.118 -0.492 . . . . 71.13 110.882 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 61.9 m -110.69 -19.78 12.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 75.44 110.888 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -106.77 -1.96 36.88 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.765 -0.731 . . . . 73.24 112.498 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -65.01 -32.24 73.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.904 0.383 . . . . 74.35 110.884 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.07 -55.19 33.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 72.21 110.886 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.99 -49.8 70.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 74.23 110.864 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 16.8 m -56.35 -31.06 63.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 73.21 111.129 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.7 tt -70.7 -44.09 67.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 72.32 110.878 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -52.04 -41.34 62.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.226 -0.443 . . . . 72.35 110.89 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 25.0 mm -73.45 -27.95 24.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 74.23 111.165 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.65 -59.42 3.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 73.21 110.861 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.7 p -54.78 -32.93 26.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 73.03 111.097 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.7 tp -64.65 -44.0 91.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 73.15 110.925 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.57 -39.47 80.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 72.04 110.874 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.31 -48.48 78.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 72.15 111.081 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.76 -37.21 70.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 74.54 110.945 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.09 -44.88 75.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 72.32 111.151 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 37.6 t -58.29 -36.68 59.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 72.54 111.116 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -66.61 -45.68 78.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 72.31 110.888 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.91 -59.09 4.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 74.31 110.94 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 22.2 tp -60.66 -33.56 73.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 74.4 110.946 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.29 -66.23 0.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 71.34 110.931 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.0 mp -68.74 -27.0 34.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 70.12 111.115 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.7 t -48.68 -33.54 10.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 74.42 110.864 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -95.56 -26.9 15.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 74.44 110.91 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.0 mt -132.42 100.77 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 75.21 111.163 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.8 m -105.83 155.23 38.62 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.641 0.734 . . . . 75.33 111.119 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 167.79 23.47 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.688 2.259 . . . . 61.42 112.366 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -24.85 29.08 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.665 2.243 . . . . 73.01 112.308 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 56.9 p -77.39 78.1 3.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 72.04 111.192 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.5 p -109.87 23.36 14.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 55.54 110.837 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.1 p -124.02 -62.49 1.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 72.23 110.871 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -138.24 157.27 46.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 73.21 110.869 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.9 t 52.46 73.06 1.01 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.64 0.733 . . . . 73.04 110.856 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -177.92 2.11 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.663 2.242 . . . . 73.2 112.371 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.6 m -139.31 -74.35 0.37 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 75.32 110.887 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.8 m -56.81 -31.49 35.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 73.43 111.121 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.3 -35.49 23.32 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.707 -0.758 . . . . 71.25 112.524 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.71 -48.52 81.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.894 0.378 . . . . 72.03 110.897 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -66.62 -43.48 84.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 75.1 110.924 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.28 -47.95 65.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.116 -0.493 . . . . 64.02 110.908 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 5.0 tmm? -55.67 -48.84 74.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 71.51 110.912 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -67.18 -26.11 66.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 75.33 110.865 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.3 m -72.2 -46.07 57.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 74.22 111.109 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -58.88 -36.81 75.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 63.03 110.877 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 39.1 t -63.3 -62.21 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 74.14 111.158 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.99 -44.87 83.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 62.43 110.95 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 5.8 t -54.23 -47.31 68.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 75.22 111.133 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 23.8 m -53.74 -44.89 70.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 74.33 111.184 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -61.45 -35.65 78.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 74.52 110.853 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.5 t -61.94 -37.86 86.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 64.33 110.851 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 25.7 mm -65.59 -47.4 86.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 64.25 111.15 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 76.5 t -55.28 -37.26 43.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 73.25 111.135 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 54.2 m -72.64 -24.82 61.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 70.54 111.149 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.6 m -63.68 -59.27 4.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 71.12 110.897 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 41.8 t -65.12 -40.41 88.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 74.24 111.129 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 8.5 m -55.27 -50.33 69.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 73.15 110.891 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 38.2 t -58.06 -40.02 75.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 74.32 111.127 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.7 mt -68.89 -34.7 75.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 73.52 110.9 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -156.4 126.38 6.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 72.3 110.9 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 6.4 p -122.71 138.36 53.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 73.24 111.112 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -145.05 175.84 9.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 73.31 110.891 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 58.42 85.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 73.24 110.888 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.22 141.84 22.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 64.44 110.898 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.98 160.55 65.81 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.657 0.741 . . . . 73.32 110.904 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -39.52 6.47 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.676 2.25 . . . . 63.32 112.341 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 61.16 98.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.438 . . . . 64.4 110.903 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.9 p -75.89 -42.29 49.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 73.01 111.122 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -99.35 122.74 42.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 75.34 110.869 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.05 173.12 10.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 65.44 111.139 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 75.55 112.05 0.11 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.799 -0.715 . . . . 62.44 112.448 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -169.58 -160.74 18.55 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.713 -0.756 . . . . 74.21 112.443 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 177.82 179.05 47.79 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 72.54 112.462 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -62.55 175.8 7.12 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.773 -0.727 . . . . 70.32 112.465 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 106.47 12.27 25.29 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.772 -0.727 . . . . 75.43 112.466 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.17 -35.99 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.818 0.342 . . . . 74.41 111.12 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.2 -47.36 77.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 73.43 110.865 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.53 -31.94 73.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 74.32 110.876 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.61 -56.21 13.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 73.4 110.908 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -59.06 -31.89 69.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 64.24 110.883 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -72.25 -49.42 35.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 74.23 110.928 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -54.54 -48.09 72.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 75.23 110.915 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 47.6 pt -66.95 -23.59 31.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 53.54 111.124 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.98 -41.11 87.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 72.42 110.837 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 22.3 t -69.66 -36.17 69.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 63.44 111.103 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -58.86 -58.83 6.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 70.01 110.903 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.9 p -59.4 -31.79 47.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 74.44 111.153 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.99 -49.22 62.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 74.24 110.87 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.7 t -66.61 -56.4 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 73.24 111.133 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -55.17 -52.32 63.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 75.4 110.896 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -57.45 -52.95 48.65 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.726 -0.75 . . . . 74.34 112.492 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.6 m -56.55 -46.73 80.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.756 0.312 . . . . 74.4 111.107 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 38.3 mt -62.45 -32.25 54.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 74.01 111.099 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -61.83 -53.37 43.76 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.759 -0.734 . . . . 74.42 112.451 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 21.9 ptp -74.79 -31.07 61.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.837 0.351 . . . . 72.12 110.877 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -67.62 -18.71 65.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 75.41 110.888 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.44 2.6 43.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.506 . . . . 74.03 110.946 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.516 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 1.8 tt0 -55.6 -58.45 15.53 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.603 0.716 . . . . 73.13 110.899 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 131' ' ' GLN . 53.5 Cg_endo -69.73 150.93 69.03 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.691 2.26 . . . . 71.1 112.359 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -66.95 -26.31 66.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 74.33 110.914 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -172.44 -179.0 2.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 73.02 110.892 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -66.86 -23.01 65.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 74.31 110.9 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 52.56 59.99 4.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.445 . . . . 75.14 110.843 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 74.43 110.869 -179.937 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.85 0.357 . . . . 71.34 110.879 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -156.44 70.44 0.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 75.44 111.089 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -97.29 16.32 20.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 74.42 110.861 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 55.43 29.56 13.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 65.54 110.929 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.518 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 3.4 tt0 -64.63 -58.41 13.51 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.623 0.725 . . . . 73.53 110.908 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.3 Cg_endo -69.77 -22.27 32.26 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.714 2.276 . . . . 74.43 112.343 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.85 -45.54 70.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 71.4 110.886 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.27 -22.63 61.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 73.41 110.865 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -74.58 -58.05 3.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 71.22 110.895 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.0 t -52.06 -41.02 62.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 73.42 111.122 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 18.0 mm -62.65 -38.59 81.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 75.44 111.112 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.15 -16.06 63.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 73.44 110.874 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.8 -23.68 22.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 75.41 110.908 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 46.8 mm -78.75 -32.32 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 73.43 111.129 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.528 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 1.6 mt -52.34 -57.53 15.1 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.662 0.744 . . . . 74.03 111.148 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.9 Cg_endo -69.75 -33.49 16.5 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.665 2.243 . . . . 72.22 112.374 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 44.5 t -53.73 -58.46 7.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 75.14 110.888 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.8 t -65.33 -41.87 92.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.214 -0.448 . . . . 71.11 111.171 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.3 mt -56.23 -43.61 78.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 63.33 110.886 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 7.3 mt -59.52 -48.0 88.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 74.15 111.12 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.7 m -56.4 -47.85 78.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.135 -0.484 . . . . 75.32 111.163 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.06 -38.96 62.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 63.05 110.882 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.06 -48.14 79.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.119 -0.491 . . . . 72.45 110.886 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.3 -34.21 76.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 53.34 111.14 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 55.3 mt -73.13 -43.81 57.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 74.4 111.113 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.3 mt -60.91 -31.43 70.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 74.13 110.867 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 42.1 t -71.84 -37.28 61.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 74.23 111.152 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -65.86 -41.14 92.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 75.54 110.895 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -78.18 -34.47 49.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 74.13 110.928 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -130.05 72.04 82.03 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.592 0.711 . . . . 64.54 110.866 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 100.48 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.7 2.267 . . . . 74.42 112.334 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.89 119.44 37.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 63.14 110.844 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 61.08 174.08 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 74.1 110.878 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.0 m -104.55 -14.11 15.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 64.45 110.865 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -82.67 -10.06 83.79 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.765 -0.731 . . . . 62.32 112.486 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.56 -26.2 41.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.908 0.385 . . . . 72.45 110.896 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -68.17 -58.92 3.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.477 . . . . 73.22 110.872 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.03 -43.72 86.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 71.32 110.892 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 6.5 m -61.14 -39.02 88.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 73.32 111.11 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 tp -62.93 -50.13 72.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 75.32 110.926 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.4 t -54.51 -37.12 64.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 61.1 110.915 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 43.7 mt -75.16 -30.46 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 71.52 111.119 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.82 -54.28 12.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 72.34 110.867 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.2 p -61.98 -32.76 55.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 74.03 111.155 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.7 tt -68.86 -50.26 51.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 71.11 110.965 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 17.8 tp -58.69 -39.55 81.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 73.52 110.881 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.58 -54.68 33.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 73.2 111.071 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.19 -34.97 64.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 70.14 110.898 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.4 m -70.62 -38.68 73.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 62.45 111.106 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.2 t -58.92 -44.33 90.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 73.31 111.098 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -63.33 -42.71 98.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 71.02 110.927 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.66 -59.28 4.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 74.42 110.929 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.75 -37.47 59.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 74.12 110.914 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 tt -49.76 -66.23 0.43 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 74.55 110.919 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.8 mp -71.35 -20.69 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 75.03 111.101 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.0 t -48.14 -41.3 26.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 73.21 110.794 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.55 -21.88 17.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 74.43 110.896 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 26.0 mm -98.07 66.83 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 73.41 111.126 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 58.1 t -113.45 74.2 2.13 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.572 0.701 . . . . 72.42 111.089 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 167.75 23.58 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.677 2.251 . . . . 74.11 112.34 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -13.24 34.38 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.72 2.28 . . . . 73.11 112.356 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.2 p -66.01 -19.23 65.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 74.34 111.143 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.1 m -91.31 -4.18 56.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 75.31 110.851 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 69.1 m -54.18 -44.56 71.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 74.22 110.851 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.21 116.16 26.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 71.22 110.879 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.8 t 63.02 70.88 0.7 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.642 0.734 . . . . 63.12 110.832 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 150.69 68.51 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.692 2.261 . . . . 73.24 112.333 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.29 -53.28 2.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 72.12 110.824 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 34.8 m -57.44 -30.24 35.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 72.23 111.107 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -79.77 -32.97 35.25 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.699 -0.763 . . . . 71.31 112.487 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.86 -54.62 32.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.881 0.372 . . . . 74.42 110.944 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -65.36 -34.63 78.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 74.34 110.891 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.8 tp -63.82 -42.15 97.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.482 . . . . 75.33 110.857 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 44.6 ttm -57.5 -47.49 81.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 72.31 110.859 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -73.46 -25.05 60.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 73.15 110.886 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.9 m -71.89 -50.55 28.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.116 -0.493 . . . . 62.1 111.105 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -57.01 -43.1 81.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 74.25 110.899 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.9 t -54.13 -62.86 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 75.51 111.144 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.94 -38.23 78.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 72.14 110.92 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 5.3 t -57.97 -55.54 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 74.52 111.086 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.2 m -52.65 -31.7 38.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 74.0 111.159 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -70.7 -44.55 66.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 74.44 110.865 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.28 -30.09 66.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 74.2 110.868 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 43.0 mm -76.08 -40.22 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 75.0 111.143 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 28.0 t -53.64 -50.29 51.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 72.05 111.124 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.7 p -66.06 -37.12 85.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 75.21 111.132 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.57 -48.19 69.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 75.51 110.868 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 51.9 t -70.68 -31.64 46.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 74.41 111.146 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.24 -44.9 78.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 73.43 110.913 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.4 p -79.06 -19.15 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 74.05 111.108 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.7 mt -76.75 -60.08 2.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 72.3 110.898 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -105.13 142.49 34.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 74.44 110.909 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.1 p -153.67 139.79 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 72.03 111.121 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -125.53 56.19 1.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 74.22 110.864 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 20.4 m80 62.92 171.13 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 63.32 110.854 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.28 174.62 3.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 73.33 110.868 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.72 160.5 71.86 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.62 0.724 . . . . 75.35 110.902 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -33.07 17.45 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.686 2.258 . . . . 72.0 112.355 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -101.66 140.19 36.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 71.43 110.873 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 61.8 p -86.31 85.42 7.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 75.55 111.133 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 43.7 m170 -73.86 177.68 5.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 64.31 110.881 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.68 94.34 1.01 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.261 -0.427 . . . . 74.34 111.126 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -77.88 -79.36 0.74 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.761 -0.733 . . . . 74.53 112.493 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 132.91 -38.27 1.89 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.779 -0.724 . . . . 72.32 112.465 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 151.24 -122.79 1.4 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.727 -0.749 . . . . 72.23 112.466 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -140.82 -179.68 18.45 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.783 -0.723 . . . . 54.11 112.533 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 90.18 6.48 68.94 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.704 -0.76 . . . . 25.23 112.496 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.16 -36.02 16.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.774 0.321 . . . . 70.32 111.101 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -69.87 -53.18 19.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 63.21 110.872 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -28.72 65.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 75.44 110.87 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.26 -54.56 23.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 73.21 110.912 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -54.38 -27.44 36.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 73.25 110.888 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.8 mp -67.93 -42.59 80.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 74.41 110.938 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 32.8 t-105 -79.86 -42.32 24.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 71.4 110.902 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -56.15 -24.96 18.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 75.14 111.068 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.15 -63.57 1.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 73.33 110.872 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 52.6 t -54.48 -27.28 17.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 74.15 111.173 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -69.48 -57.08 5.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 74.13 110.906 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 14.3 p -66.87 -27.06 38.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 73.54 111.168 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 68.6 m -76.33 -53.44 8.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 73.34 110.847 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 10.5 t -55.02 -39.34 49.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 71.33 111.132 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -65.81 -59.07 4.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 74.21 110.876 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -56.38 -50.75 60.54 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 74.2 112.475 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 97.6 m -57.97 -62.66 1.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.773 0.32 . . . . 73.32 111.145 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 17.1 mm -53.87 -28.46 16.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 74.11 111.101 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -56.36 -56.72 22.95 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.718 -0.753 . . . . 72.33 112.511 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 2.3 ptt? -83.1 -22.54 33.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.791 0.329 . . . . 73.14 110.839 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -76.9 -16.33 59.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 65.54 110.859 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.49 -9.09 59.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 71.31 110.885 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.519 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 2.1 tt0 -59.34 -58.42 19.61 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.58 0.705 . . . . 75.22 110.925 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 131' ' ' GLN . 53.4 Cg_endo -69.79 150.94 68.69 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.665 2.243 . . . . 72.21 112.367 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -66.86 -26.37 66.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.236 -0.438 . . . . 74.42 110.899 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -169.97 -178.79 3.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 71.41 110.875 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -64.79 -20.1 66.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 73.14 110.918 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 56.1 72.72 0.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 72.42 110.903 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 72.41 110.919 -179.963 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.83 0.348 . . . . 65.32 110.902 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -104.36 170.09 8.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 74.34 111.092 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -128.74 50.38 2.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 70.51 110.904 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 62.86 104.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 74.14 110.912 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.497 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 4.8 tt0 178.57 -59.26 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.62 0.724 . . . . 71.01 110.818 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.7 Cg_endo -69.74 -26.24 27.85 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.708 2.272 . . . . 74.32 112.32 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.7 -15.17 63.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 75.33 110.926 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -61.99 -20.01 63.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 73.01 110.927 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -75.41 -61.02 2.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 75.13 110.895 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.1 t -52.32 -37.26 55.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 55.43 111.147 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 84.7 mt -64.08 -40.99 91.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 74.43 111.123 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -71.3 -11.83 61.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 71.45 110.909 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.04 -27.81 20.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 73.13 110.892 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.9 mm -79.32 -30.4 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 75.14 111.086 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.527 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 1.4 mm -51.8 -57.51 14.49 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.598 0.714 . . . . 72.23 111.089 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.8 Cg_endo -69.73 -38.29 8.08 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.673 2.248 . . . . 74.14 112.34 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.7 t -52.1 -58.86 5.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 52.34 110.889 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 24.7 t -61.78 -46.15 97.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 74.42 111.114 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.83 -42.99 69.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 74.44 110.942 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.5 mt -54.88 -48.93 73.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 74.24 111.101 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 41.8 m -54.4 -55.02 32.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 74.31 111.094 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.24 -40.69 61.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 72.22 110.865 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.9 -37.5 66.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 74.21 110.911 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.0 -24.97 60.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 75.42 111.133 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 77.7 mt -84.06 -58.62 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 75.41 111.097 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.17 -29.85 34.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.474 . . . . 62.32 110.863 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 8.4 t -80.18 -43.27 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 73.24 111.102 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -71.4 -16.96 62.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 73.31 110.885 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -90.56 -28.01 18.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 64.32 110.911 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.3 73.36 67.08 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.556 0.693 . . . . 73.35 110.918 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 81.1 0.84 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.641 2.227 . . . . 74.23 112.354 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.1 m -74.3 165.1 25.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 75.21 110.897 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.67 9.88 28.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 75.45 110.851 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 97.2 m -87.98 5.75 39.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 73.33 110.91 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 77.7 27.1 59.53 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.743 -0.742 . . . . 73.15 112.5 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -62.82 -26.35 68.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.938 0.399 . . . . 73.32 110.895 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm -62.68 -54.38 40.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 74.15 110.896 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 20.8 mtt -56.81 -44.9 82.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 75.12 110.859 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 42.0 m -56.63 -41.34 76.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 75.54 111.158 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -56.11 -58.09 9.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 74.3 110.907 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.6 t -53.64 -34.64 59.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 63.32 110.878 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 31.4 mt -72.6 -31.81 38.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 75.34 111.154 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 t -68.48 -51.23 45.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.468 . . . . 74.43 110.852 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.9 t -57.29 -39.53 68.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 71.54 111.155 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.8 tp -67.52 -55.88 11.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.176 -0.465 . . . . 71.31 110.9 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.67 -34.99 60.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 72.2 110.931 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.75 -37.69 88.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 72.24 111.063 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 32.4 tp -60.22 -50.24 74.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 75.45 110.94 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.3 m -57.77 -40.61 80.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 73.2 111.142 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.5 t -58.91 -39.46 77.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 73.53 111.156 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -61.99 -43.06 99.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 72.32 110.852 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.4 mt -51.77 -59.07 4.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 72.14 110.884 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.2 tp -55.84 -33.86 64.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 65.34 110.94 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.71 -63.64 1.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 75.23 110.899 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.0 mp -74.4 -25.54 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 74.21 111.115 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.2 t -52.1 -30.11 24.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 75.25 110.805 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -93.82 -50.18 5.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 74.54 110.875 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.3 mp -150.21 133.93 8.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 74.21 111.11 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -88.91 154.91 50.14 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.602 0.715 . . . . 70.15 111.113 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 167.72 23.61 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.641 2.227 . . . . 74.32 112.391 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -11.1 30.13 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.681 2.254 . . . . 72.24 112.335 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 67.6 p -57.22 -25.04 58.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 74.34 111.139 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.63 136.15 34.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 74.25 110.886 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.8 t -170.1 -51.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 72.03 110.817 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -103.16 -54.82 2.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 73.34 110.841 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -123.03 160.56 49.04 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.659 0.742 . . . . 73.4 110.829 -179.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 129.94 18.48 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.697 2.265 . . . . 71.51 112.34 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.3 t -111.68 -33.8 6.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 71.35 110.842 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 20.5 m -58.76 -33.65 49.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 73.43 111.124 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -74.09 -47.59 18.05 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.776 -0.726 . . . . 71.24 112.482 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -60.8 -39.51 89.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.88 0.371 . . . . 73.23 110.888 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -61.46 -40.83 95.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 74.51 110.898 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.53 -40.04 70.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.131 -0.486 . . . . 74.35 110.89 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 6.9 ttm -54.24 -56.36 19.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 70.21 110.885 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -63.92 -34.87 78.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 64.21 110.881 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 18.0 m -63.81 -39.79 95.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 72.32 111.132 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.5 mmt -70.32 -30.68 67.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 74.02 110.809 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 10.7 t -67.97 -54.02 25.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 74.3 111.097 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.51 -47.74 80.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 75.41 110.904 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.6 t -51.91 -53.03 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 75.12 111.11 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 97.8 m -51.82 -36.73 49.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 74.43 111.146 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -72.28 -38.74 68.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 74.05 110.879 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.35 -39.63 92.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 62.34 110.876 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 15.8 mm -66.29 -43.31 91.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 75.52 111.138 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 3.8 t -52.72 -43.37 44.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 74.44 111.113 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.62 -29.12 59.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 72.11 111.134 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.84 -56.85 16.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 72.51 110.857 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 14.3 m -69.17 -23.25 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 71.14 111.124 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -67.36 -29.0 68.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 71.44 110.887 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 24.1 t -82.42 -46.16 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 74.42 111.115 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.9 -41.4 96.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 74.3 110.971 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -118.75 86.89 2.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 72.51 110.889 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 14.7 p -96.45 144.85 9.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 74.25 111.108 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -149.62 66.43 1.0 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 75.3 110.801 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -103.0 96.45 6.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 75.33 110.861 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 8.5 mmm180 -80.81 101.15 9.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 74.5 110.891 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -102.9 160.56 25.84 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.638 0.732 . . . . 63.25 110.913 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -47.54 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.71 2.274 . . . . 73.32 112.35 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -158.25 179.68 8.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 50.35 110.85 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 25.1 p -97.13 60.31 1.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 75.0 111.156 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.13 138.34 41.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 75.44 110.845 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.44 109.33 14.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 74.32 111.153 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -144.53 -69.98 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.735 -0.745 . . . . 71.13 112.504 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 160.54 106.43 0.21 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.752 -0.737 . . . . 53.3 112.503 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -174.23 148.64 10.07 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.768 -0.73 . . . . 64.43 112.491 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 105.09 39.25 2.32 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.78 -0.724 . . . . 71.54 112.433 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -111.58 21.09 21.93 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 70.33 112.479 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 3.2 tp -50.43 -48.27 25.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.823 0.344 . . . . 74.12 111.109 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -66.58 -25.46 66.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 75.21 110.868 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.78 -48.68 24.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 75.54 110.917 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.34 -46.22 74.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 74.13 110.927 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -61.04 -27.53 68.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 75.43 110.867 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.82 -43.69 79.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 75.54 110.93 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 51.8 t-105 -79.73 -41.67 26.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.175 -0.466 . . . . 74.34 110.894 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -56.27 -25.01 19.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 73.45 111.151 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.13 -60.02 2.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 73.43 110.878 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 97.8 t -51.67 -30.16 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 74.24 111.128 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.56 -57.02 5.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 74.11 110.861 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 11.5 p -65.01 -24.18 34.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 71.32 111.131 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.87 -49.88 16.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 74.23 110.896 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.9 t -53.42 -50.07 50.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 63.03 111.126 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -75.42 -31.36 60.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 75.42 110.86 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -65.62 -58.99 8.18 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.753 . . . . 74.3 112.485 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 25.7 p -56.36 -45.77 80.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.788 0.327 . . . . 71.14 111.169 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 11.4 mm -52.46 -45.31 45.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 71.51 111.139 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -59.98 -32.06 74.31 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 74.02 112.478 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 35.5 mmm -59.62 -57.71 11.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.78 0.324 . . . . 75.22 110.879 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.51 -14.04 60.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 73.32 110.836 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 1.1 tt -83.15 -15.41 50.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 74.33 110.93 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.515 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 1.3 tt0 -55.03 -58.53 14.26 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.594 0.712 . . . . 63.33 110.902 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 131' ' ' GLN . 53.7 Cg_endo -69.71 150.93 69.18 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.695 2.263 . . . . 62.04 112.362 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -66.91 -26.34 66.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 74.5 110.899 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -171.78 -177.33 1.95 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 63.42 110.912 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -67.9 -13.97 62.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 73.53 110.939 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -89.26 51.19 2.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 74.23 110.913 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.239 0 CA-C-N 116.184 -0.462 . . . . 64.44 110.931 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.816 0.341 . . . . 74.45 110.863 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -126.24 139.21 53.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 62.31 111.092 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -104.45 3.3 32.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 74.54 110.841 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -103.63 37.04 2.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 63.2 110.898 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.511 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 5.3 tt0 -66.39 -58.43 10.38 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.651 0.738 . . . . 74.24 110.869 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 54.0 Cg_endo -69.74 -23.12 31.26 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.668 2.245 . . . . 72.03 112.372 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.4 -22.46 51.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 74.31 110.951 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.06 -21.37 50.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 74.32 110.89 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -72.69 -56.9 4.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 73.01 110.929 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.3 t -52.25 -40.91 62.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 74.02 111.138 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 34.5 mt -62.12 -43.98 98.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 74.45 111.145 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -67.39 -13.68 62.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 73.21 110.875 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 mt -88.98 -24.22 22.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 73.13 110.884 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.0 mm -79.71 -30.54 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 74.52 111.113 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.527 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 4.0 mt -53.39 -57.47 16.78 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.654 0.74 . . . . 74.34 111.112 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.8 Cg_endo -69.78 -35.79 11.94 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.636 2.224 . . . . 74.44 112.346 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.4 t -52.26 -56.14 16.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 74.43 110.874 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 43.8 t -64.17 -47.48 89.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 73.01 111.153 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.8 tp -52.43 -46.34 66.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 72.23 110.915 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 31.4 mt -52.58 -50.97 38.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 73.13 111.148 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 58.2 m -54.16 -51.65 63.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 74.42 111.166 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.4 -40.43 65.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 54.32 110.847 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.21 -46.45 65.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 73.14 110.907 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.32 -30.01 70.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 73.44 111.063 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 94.7 mt -74.92 -45.76 42.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 74.33 111.133 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.0 mt -56.9 -36.7 70.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 74.12 110.945 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 5.0 t -68.94 -46.8 78.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 75.33 111.181 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -58.95 -30.07 67.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 74.22 110.864 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -81.45 -35.83 30.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 75.35 110.963 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -123.37 72.07 47.69 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.578 0.704 . . . . 72.43 110.89 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 96.49 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.713 2.275 . . . . 74.54 112.32 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.2 164.62 23.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 50.05 110.85 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.07 36.77 2.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 72.04 110.855 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 88.6 m -111.17 18.23 19.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 72.55 110.931 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 72.4 21.14 79.55 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.719 -0.753 . . . . 70.33 112.438 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.56 -21.75 66.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.922 0.392 . . . . 74.11 110.895 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.13 -47.82 80.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 74.52 110.939 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 7.2 mtt -76.55 -39.78 51.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 75.45 110.845 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.1 m -54.52 -38.96 67.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 72.22 111.134 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.75 -44.91 54.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 75.22 110.898 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.91 -43.92 77.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 73.31 110.908 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 54.8 mt -76.13 -29.55 19.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 75.22 111.103 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.13 -55.03 13.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 74.42 110.876 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.3 t -55.92 -43.85 76.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 73.54 111.152 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.3 mt -57.64 -34.67 69.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 75.44 110.874 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.5 tp -63.3 -44.39 95.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 74.3 110.917 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.43 -41.56 69.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 73.23 111.118 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 48.0 tp -60.73 -48.08 83.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 74.34 110.954 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -52.93 -44.58 67.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 72.45 111.129 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.1 t -62.6 -40.12 87.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 73.24 111.176 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -53.19 -55.86 20.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 72.2 110.9 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.65 -59.25 4.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 74.0 110.888 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -52.74 -37.67 59.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 74.41 110.928 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.75 -65.96 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 75.31 110.899 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.8 mp -71.53 -20.7 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 75.32 111.122 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.0 t -48.08 -41.24 25.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 64.41 110.889 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.3 ptpt -95.51 -22.04 17.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 74.51 110.917 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 23.7 mt -98.01 66.87 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 72.25 111.129 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 58.5 t -113.43 74.27 2.13 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.636 0.731 . . . . 70.33 111.135 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 167.75 23.58 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.683 2.255 . . . . 70.33 112.303 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -10.29 28.19 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.643 2.229 . . . . 74.22 112.375 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 68.2 p -87.38 2.98 48.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 74.32 111.114 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.7 m -91.13 -28.46 17.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 72.24 110.869 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.3 t -56.71 159.34 3.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 73.33 110.859 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.8 t0 59.97 94.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 75.55 110.844 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.5 t 56.04 70.88 1.35 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.637 0.732 . . . . 73.24 110.844 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 128.36 15.95 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.669 2.246 . . . . 75.33 112.363 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.38 -44.27 79.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 74.13 110.872 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.8 m -61.78 -23.13 30.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 64.34 111.144 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -76.6 -51.46 6.51 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.688 -0.767 . . . . 63.31 112.502 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -55.08 -55.35 32.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.91 0.386 . . . . 73.02 110.913 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -52.74 -45.32 66.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 72.14 110.922 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.7 tp -56.37 -46.08 80.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 74.44 110.904 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.02 -56.44 16.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 75.32 110.859 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -60.37 -29.17 68.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 74.32 110.861 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 47.1 m -74.34 -31.45 62.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 72.53 111.184 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.8 mmt -67.3 -59.78 3.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 75.32 110.88 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 30.6 m -56.62 -30.5 32.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 73.01 111.107 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.6 mt -66.18 -53.87 32.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.447 . . . . 74.44 110.896 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.3 t -60.49 -49.3 84.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 74.35 111.123 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.0 m -52.3 -48.94 65.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 65.32 111.122 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.62 -39.18 64.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 73.44 110.858 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.8 t -60.75 -45.03 95.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 74.24 110.874 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 10.9 mm -58.1 -39.31 72.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 75.34 111.196 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 21.3 t -62.3 -36.16 73.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.12 -0.491 . . . . 73.12 111.15 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.78 -27.21 31.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 73.12 111.125 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.81 -43.97 86.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 73.2 110.861 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.8 t -83.5 -40.52 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 73.23 111.146 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 1.9 m -56.58 -29.52 62.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 72.34 110.887 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 41.8 t -86.72 -45.96 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 71.23 111.147 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.89 -41.87 68.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 74.42 110.961 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -162.43 123.63 2.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 73.54 110.891 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.1 p -88.68 161.32 2.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 74.43 111.168 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -176.8 -46.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 71.41 110.891 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 36.7 m-70 -102.22 -171.76 2.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 71.11 110.858 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 62.5 mtt-85 -140.99 145.98 36.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 74.42 110.876 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.12 160.58 82.43 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.68 0.752 . . . . 73.32 110.809 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -42.09 3.73 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.661 2.24 . . . . 64.54 112.376 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -111.46 124.35 52.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 71.11 110.882 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 7.0 p -134.03 161.16 35.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 63.4 111.188 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -105.17 145.75 30.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 63.32 110.844 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.67 145.53 55.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 74.51 111.136 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 63.64 165.33 0.74 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.748 -0.739 . . . . 74.34 112.521 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -149.97 -91.1 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.725 -0.75 . . . . 72.43 112.462 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 107.0 -10.38 40.37 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.702 -0.761 . . . . 71.01 112.455 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 88.12 28.52 22.78 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.721 -0.752 . . . . 72.52 112.503 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -109.66 9.3 32.41 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.681 -0.771 . . . . 64.42 112.5 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.23 -35.95 16.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.81 0.338 . . . . 64.12 111.121 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -60.2 -53.05 62.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 75.51 110.865 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -65.19 -27.14 68.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 74.53 110.851 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -67.45 -57.43 6.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 74.15 110.91 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -55.31 -31.79 61.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 62.35 110.884 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.8 -47.56 18.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 75.01 110.895 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 36.2 t90 -61.28 -50.46 72.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 70.34 110.942 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 2.1 pp -61.34 -30.78 48.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 74.04 111.151 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -76.07 -37.58 58.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 75.31 110.878 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 72.4 t -68.32 -37.01 77.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 73.44 111.108 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -61.05 -57.48 12.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 75.34 110.867 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.4 p -57.77 -29.04 34.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 73.54 111.16 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -70.15 -41.14 74.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 64.24 110.88 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 33.6 t -77.72 -60.51 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 74.22 111.083 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -56.24 -43.99 79.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 74.22 110.855 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -61.34 -57.01 20.31 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.78 -0.724 . . . . 73.22 112.528 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 6.6 m -59.61 -49.85 76.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.765 0.317 . . . . 73.14 111.155 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 17.6 mm -56.99 -37.7 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 74.31 111.121 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -58.2 -60.25 9.31 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.748 -0.739 . . . . 63.24 112.458 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 19.6 ptp -66.4 -21.52 66.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.825 0.345 . . . . 74.13 110.864 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -82.95 -14.48 54.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 74.02 110.825 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.34 -13.41 56.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.174 -0.467 . . . . 73.04 110.973 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.508 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 0.8 OUTLIER -51.17 -58.67 9.7 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.593 0.711 . . . . 74.12 110.915 179.909 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 131' ' ' GLN . 53.4 Cg_endo -69.76 150.97 68.89 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.666 2.244 . . . . 74.33 112.334 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -66.92 -26.29 66.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 73.23 110.938 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -171.84 177.59 3.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 74.14 110.879 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -54.44 -33.78 60.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 70.51 110.908 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 55.22 89.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 72.12 110.883 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 75.23 110.86 -179.881 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.862 0.363 . . . . 73.31 110.891 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -177.35 -49.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 74.22 111.076 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -96.89 13.87 27.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 75.44 110.899 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 55.99 61.86 2.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.495 . . . . 72.14 110.855 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.514 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 5.3 tt0 -66.05 -58.43 10.95 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.639 0.733 . . . . 72.11 110.854 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.9 Cg_endo -69.71 -34.59 14.45 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.677 2.251 . . . . 71.12 112.33 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.85 -19.13 63.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 72.22 110.917 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -85.59 -25.27 26.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 72.13 110.878 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -68.44 -51.04 48.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 72.1 110.933 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.9 t -54.25 -39.64 67.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 71.1 111.126 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 90.8 mt -63.95 -44.06 97.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 75.12 111.113 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.58 -12.92 61.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 75.03 110.853 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.3 tt -88.67 -25.14 22.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 75.45 110.955 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.1 mt -79.31 -31.62 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 73.12 111.167 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.535 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 1.1 mm -51.76 -57.49 14.51 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.669 0.747 . . . . 75.13 111.137 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 54.0 Cg_endo -69.75 -37.39 9.26 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.639 2.226 . . . . 64.44 112.391 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.6 m -52.48 -58.2 7.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 74.43 110.904 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 99.6 t -62.18 -30.85 49.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 65.34 111.141 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.6 tt -64.33 -48.48 75.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 74.25 110.924 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 31.9 mm -52.62 -49.78 43.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 74.43 111.131 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.6 m -53.96 -49.74 68.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 70.15 111.141 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.68 -37.47 68.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 74.11 110.876 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.06 -42.17 76.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 75.23 110.915 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.6 -34.62 76.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 72.42 111.12 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 78.9 mt -72.98 -33.09 42.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 75.53 111.157 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.65 -37.38 73.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 75.31 110.95 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 51.8 t -63.83 -42.9 97.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 75.41 111.081 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -69.33 -26.24 64.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 73.34 110.895 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -89.39 -8.14 53.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 71.33 110.93 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -139.76 70.53 36.98 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.609 0.719 . . . . 74.43 110.937 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 92.96 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.682 2.255 . . . . 73.44 112.361 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 m -124.45 126.72 46.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 65.53 110.867 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 62.45 171.98 0.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 73.31 110.874 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -102.64 -23.9 13.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 71.33 110.902 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -74.77 -14.38 81.48 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 64.14 112.492 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -69.65 -39.89 76.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.895 0.379 . . . . 71.21 110.884 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.24 -51.18 70.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 74.12 110.875 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.5 mtt -59.79 -30.17 68.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 71.14 110.886 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.5 m -70.53 -33.73 71.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 73.54 111.186 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 24.4 tp -62.79 -52.71 62.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 75.53 110.933 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 37.1 t -55.95 -40.49 73.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 63.31 110.848 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 78.5 mt -73.63 -23.81 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 75.11 111.149 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.4 t -76.56 -62.81 1.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 74.45 110.81 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.1 p -53.25 -31.14 17.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 54.1 111.118 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 32.5 tp -72.92 -45.06 60.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 73.32 110.896 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 29.3 tp -54.59 -43.34 72.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 73.32 110.842 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.67 -41.38 99.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 74.31 111.104 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.75 -57.52 11.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 74.31 110.918 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.5 p -59.27 -37.79 78.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.13 -0.486 . . . . 71.23 111.11 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.7 t -59.37 -48.62 86.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 74.32 111.16 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -53.16 -47.76 68.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 74.11 110.907 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.74 -59.12 4.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 74.25 110.928 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.86 -37.99 60.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 71.43 110.915 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.63 -65.7 0.52 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 73.33 110.932 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.9 mp -71.12 -21.12 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 73.31 111.157 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.6 t -48.73 -41.06 30.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 75.22 110.873 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.48 -22.75 17.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 75.33 110.912 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 18.3 mm -119.8 63.09 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 73.42 111.122 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.9 m -50.89 156.58 1.62 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.62 0.724 . . . . 75.43 111.094 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.82 167.73 23.67 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.702 2.268 . . . . 74.04 112.342 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -19.13 36.29 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.635 2.224 . . . . 62.53 112.344 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -172.25 115.13 0.33 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 75.41 111.211 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.6 p -124.31 6.57 8.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 63.34 110.845 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.82 -22.59 61.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 71.55 110.813 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -151.75 117.22 5.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 71.23 110.843 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.6 m 53.35 71.54 1.38 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.657 0.741 . . . . 71.41 110.809 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 174.95 8.78 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.694 2.263 . . . . 64.23 112.336 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -113.54 -63.76 1.4 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 60.31 110.836 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 34.1 m -64.76 -31.52 54.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 64.11 111.15 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -73.75 -43.45 35.43 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.756 -0.735 . . . . 64.34 112.488 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -58.67 -54.08 51.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.87 0.367 . . . . 75.13 110.901 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -52.62 -47.32 67.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.12 -0.491 . . . . 74.44 110.931 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.86 -37.73 71.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.107 -0.497 . . . . 74.35 110.885 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -56.64 -48.43 77.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 75.31 110.87 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.53 -32.16 70.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 72.32 110.866 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 16.0 m -71.81 -36.12 70.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 54.25 111.167 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.1 mmt -57.55 -58.92 6.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 73.13 110.874 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 7.0 p -59.06 -36.57 63.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 53.24 111.099 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.59 -50.36 69.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 75.33 110.936 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 42.8 t -60.58 -41.76 89.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 72.31 111.125 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.2 m -55.22 -39.03 69.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 71.22 111.154 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.97 -42.02 97.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 75.33 110.943 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.62 -40.71 97.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 62.01 110.865 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 9.2 mm -56.74 -44.33 81.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 74.42 111.121 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 65.4 t -58.88 -43.77 89.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 73.42 111.154 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 27.3 m -69.89 -33.25 71.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 73.5 111.197 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.61 -44.43 77.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 72.21 110.881 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 14.3 t -75.52 -30.79 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 75.32 111.094 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.62 -42.17 98.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 71.11 110.883 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.6 t -78.87 -35.21 17.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.475 . . . . 62.24 111.097 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.4 tp -64.6 -48.76 73.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 73.25 110.937 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -132.31 143.35 49.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 71.21 110.912 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.1 p -164.73 138.62 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 75.32 111.12 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -169.57 177.6 4.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 72.45 110.878 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 61.72 169.62 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 74.31 110.868 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.14 148.3 4.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 74.45 110.896 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.74 160.57 52.78 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.65 0.738 . . . . 74.44 110.875 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -33.04 17.31 Favored 'Trans proline' 0 N--CA 1.466 -0.146 0 C-N-CA 122.699 2.266 . . . . 72.4 112.317 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -93.81 166.21 12.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 62.3 110.879 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 47.6 p -119.34 37.55 4.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 74.24 111.145 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -87.63 -39.46 15.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 72.4 110.855 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.06 132.97 41.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 54.33 111.168 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 106.43 149.38 16.78 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.743 -0.742 . . . . 71.1 112.513 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -130.76 52.89 0.82 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.788 -0.72 . . . . 72.34 112.553 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.43 -95.97 2.09 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.768 -0.73 . . . . 75.21 112.487 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -164.71 36.82 0.29 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.795 -0.717 . . . . 72.11 112.538 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -109.69 13.77 32.41 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.709 -0.758 . . . . 73.54 112.516 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.2 -35.94 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.833 0.349 . . . . 74.34 111.18 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -57.98 -46.63 84.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 71.31 110.834 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -63.26 -32.64 74.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 75.23 110.863 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.3 mt -67.85 -43.02 80.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 73.42 110.924 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -66.68 -39.27 88.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 75.44 110.874 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.39 -44.07 75.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 75.43 110.921 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 5.8 t90 -57.02 -57.35 12.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 73.42 110.921 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 42.7 pt -56.71 -26.18 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.421 . . . . 74.25 111.14 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -79.51 -34.47 41.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 74.2 110.889 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 34.2 t -75.18 -38.22 41.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 72.32 111.135 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -64.87 -47.8 76.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 74.03 110.861 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 13.7 p -66.77 -28.82 44.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 74.53 111.162 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 44.2 t -72.74 -32.21 65.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 73.42 110.88 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 74.4 t -81.09 -61.07 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 74.23 111.088 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -60.64 -27.56 67.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 74.43 110.868 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -71.04 -53.34 10.93 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.76 -0.733 . . . . 62.03 112.455 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 28.5 m -64.0 -39.55 94.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.717 0.294 . . . . 73.31 111.133 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 70.0 mt -68.06 -24.8 30.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 72.31 111.147 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -70.95 -46.39 45.1 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.718 -0.753 . . . . 62.54 112.511 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 19.9 ptp -78.9 -22.13 46.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.735 0.302 . . . . 75.32 110.844 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -82.51 -44.73 15.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 74.5 110.859 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.06 2.83 56.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 73.41 110.946 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.519 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 1.9 tt0 -52.31 -58.43 11.63 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.552 0.692 . . . . 74.12 110.878 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 131' ' ' GLN . 53.8 Cg_endo -69.75 150.93 68.91 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.741 2.294 . . . . 72.31 112.348 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -66.91 -26.35 66.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 74.15 110.919 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -173.88 -77.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 74.31 110.85 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -110.62 -29.41 8.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 74.04 110.93 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 52.49 83.06 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 75.42 110.867 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 63.11 110.836 -179.906 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.528 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.5 tt0 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 121.694 0.759 . . . . 74.33 110.922 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.1 Cg_endo -69.83 -28.47 24.87 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.656 2.238 . . . . 74.41 112.324 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.476 HD23 ' CG1' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -75.6 -15.32 60.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.447 . . . . 72.23 110.854 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -60.53 -27.81 67.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 72.02 110.886 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -74.92 -60.6 2.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 63.1 110.898 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.695 ' O ' HD12 ' A' ' 15' ' ' ILE . 4.0 t -52.65 -40.91 63.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 72.23 111.105 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.476 ' CG1' HD23 ' A' ' 8' ' ' LEU . 11.6 mm -64.35 -44.34 97.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 62.43 111.119 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -68.87 -12.58 61.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 74.32 110.905 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.0 tt -88.96 -25.62 21.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.119 -0.491 . . . . 60.24 110.917 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.695 HD12 ' O ' ' A' ' 11' ' ' THR . 1.9 mt -79.26 -31.55 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 63.04 111.136 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.537 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 3.5 mt -51.89 -57.41 14.95 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.625 0.726 . . . . 73.54 111.125 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.6 Cg_endo -69.78 -36.21 11.16 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.699 2.266 . . . . 63.15 112.313 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.5 t -52.0 -57.5 9.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 61.02 110.858 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.498 HG22 HG21 ' A' ' 125' ' ' THR . 23.5 t -62.76 -33.33 59.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 73.33 111.153 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 34.8 mt -64.96 -46.32 82.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 71.0 110.937 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.5 mt -52.83 -47.98 51.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 73.34 111.11 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 71.3 m -53.18 -50.5 64.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 64.52 111.131 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.27 -39.16 66.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 71.54 110.885 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.09 -41.38 71.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 72.04 110.878 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.96 -27.08 64.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 71.34 111.088 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.431 HD11 HG22 ' A' ' 118' ' ' VAL . 97.2 mt -80.51 -35.69 15.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 75.32 111.092 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.49 -36.7 85.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 73.33 110.913 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.9 t -70.88 -47.08 64.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 71.53 111.125 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -61.33 -23.56 65.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 74.42 110.886 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -84.78 -26.18 27.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 74.24 110.932 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 mp -116.07 71.69 4.33 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.666 0.746 . . . . 61.14 110.921 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 81.58 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.717 2.278 . . . . 64.5 112.372 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.8 p -124.1 127.29 47.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 64.1 110.858 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 t70 60.8 -177.19 0.11 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 75.24 110.823 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 18.9 m -111.08 -27.59 8.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 73.25 110.859 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.9 -24.11 62.25 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.744 . . . . 55.41 112.484 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -70.83 -36.7 73.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.893 0.378 . . . . 71.04 110.837 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -75.58 -36.13 60.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 73.43 110.909 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -68.96 -44.55 72.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 33.25 110.895 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 6.2 t -72.01 -24.99 61.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 71.04 111.158 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.466 HD13 ' N ' ' A' ' 42' ' ' CYS . 1.6 tm? -64.77 -61.43 2.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 72.33 110.925 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.466 ' N ' HD13 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -53.26 -48.14 68.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 71.54 110.859 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 58.9 mt -60.0 -35.41 60.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 75.35 111.115 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.0 m -68.37 -57.32 6.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 71.43 110.855 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.5 t -52.91 -34.12 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 72.44 111.133 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.6 tp -65.32 -43.56 90.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 74.13 110.919 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.55 -39.65 88.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 62.15 110.886 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.78 -44.87 86.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 54.12 111.063 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.523 HD22 HG21 ' A' ' 81' ' ' VAL . 26.1 tp -65.14 -51.97 57.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.437 . . . . 72.23 110.882 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.3 m -55.03 -44.75 74.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 71.12 111.127 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.5 t -58.77 -41.56 82.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 62.34 111.109 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.656 ' O ' HD12 ' A' ' 56' ' ' ILE . 9.0 m-85 -60.1 -43.77 95.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 75.23 110.882 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.1 tt -51.73 -59.18 4.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.488 . . . . 75.33 110.892 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.92 -37.41 60.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 71.33 110.899 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.9 -65.9 0.48 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 70.42 110.922 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.656 HD12 ' O ' ' A' ' 52' ' ' PHE . 1.8 mp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 64.43 111.153 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 77.7 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.955 0.407 . . . . 72.33 110.884 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.587 ' HB ' HG21 ' A' ' 56' ' ' ILE . 9.1 p -58.01 -32.21 43.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 60.25 111.136 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -68.02 -35.08 83.27 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.766 -0.731 . . . . 41.24 112.47 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -54.66 -61.92 1.99 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.866 0.365 . . . . 70.53 110.926 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -59.37 -30.49 68.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 73.15 110.939 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -41.2 96.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.054 -0.521 . . . . 75.51 110.916 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.85 -56.11 17.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 75.54 110.823 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.93 -36.19 72.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.421 . . . . 71.21 110.902 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.508 ' O ' HG23 ' A' ' 81' ' ' VAL . 2.3 m -71.96 -35.68 69.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 71.41 111.128 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.0 mmt -59.47 -57.0 14.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 61.44 110.907 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 29.2 m -58.16 -31.45 41.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 73.45 111.151 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.37 -46.3 60.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 63.22 110.944 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.523 HG21 HD22 ' A' ' 49' ' ' LEU . 54.0 t -56.26 -46.54 81.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 73.52 111.149 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.6 m -56.14 -44.18 78.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 61.13 111.17 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.84 -40.15 69.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 73.33 110.895 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 32.9 t -64.07 -43.92 93.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 64.32 110.862 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 51.7 mm -57.48 -37.88 60.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 73.41 111.116 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 9.8 t -59.36 -48.44 87.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 70.25 111.123 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 12.2 p -67.29 -39.94 86.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 54.03 111.136 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.94 -47.8 70.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 74.43 110.843 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 93.4 t -73.17 -40.7 58.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.5 . . . . 72.31 111.167 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 1.2 m -53.1 -30.95 39.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 74.53 110.89 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 92.4 t -86.73 -38.83 12.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 74.52 111.065 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.0 tp . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 73.42 110.934 179.99 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.505 -0.238 . . . . 70.13 112.505 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.21 -35.97 16.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.811 0.339 . . . . 72.15 111.136 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -68.09 -52.92 29.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 72.4 110.891 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.7 -26.04 66.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 75.11 110.864 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.96 -49.15 66.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 73.51 110.918 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.01 -24.59 66.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 74.53 110.822 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.87 -44.94 75.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 74.12 110.918 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -79.63 -42.15 25.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 73.34 110.934 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 1.1 tt -56.32 -24.61 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 61.41 111.165 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.405 ' O ' HG12 ' A' ' 120' ' ' VAL . 3.9 t80 -81.11 -59.21 2.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 65.44 110.842 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.518 ' O ' HG23 ' A' ' 122' ' ' VAL . 47.8 t -54.46 -27.05 16.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 62.11 111.123 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.82 -58.78 3.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 74.24 110.889 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.405 HG12 ' O ' ' A' ' 117' ' ' PHE . 8.4 p -59.31 -23.61 25.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 72.0 111.1 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 5.2 m -78.0 -43.31 29.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 75.31 110.906 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 118' ' ' VAL . 24.6 t -58.53 -34.23 50.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 71.43 111.136 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -76.76 -45.69 28.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 61.34 110.87 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -64.55 -52.48 42.78 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 74.4 112.476 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.498 HG21 HG22 ' A' ' 19' ' ' VAL . 70.1 p -56.71 -47.69 79.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.801 0.334 . . . . 61.5 111.176 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 29.4 mt -66.82 -32.79 59.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 62.23 111.109 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -54.38 -50.14 57.64 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.668 -0.777 . . . . 54.24 112.507 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 20.7 ptp -80.03 -20.0 46.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.847 0.356 . . . . 75.12 110.889 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -81.14 -16.26 53.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 73.04 110.86 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 62.52 110.961 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.518 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 5.2 tt0 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 121.628 0.728 . . . . 73.23 110.909 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.4 Cg_endo -69.81 -40.14 5.59 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.655 2.237 . . . . 73.04 112.35 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.93 -15.73 63.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 72.43 110.885 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -60.37 -25.12 65.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 74.24 110.852 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -77.73 -60.79 2.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 65.13 110.926 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.9 t -52.38 -40.84 62.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 73.3 111.14 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.2 mm -62.52 -42.34 95.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 74.31 111.124 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -66.52 -15.48 63.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 64.44 110.925 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.534 HD11 HD11 ' A' ' 56' ' ' ILE . 0.2 OUTLIER -88.69 -24.15 22.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 51.4 110.92 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 46.6 mm -78.71 -32.46 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 71.33 111.127 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.545 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 1.6 mm -51.85 -57.51 14.54 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.62 0.724 . . . . 63.03 111.098 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.545 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 54.2 Cg_endo -69.73 -33.48 16.63 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.689 2.259 . . . . 62.24 112.353 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 44.3 t -52.05 -55.76 18.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 72.23 110.922 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.578 ' CG1' HG21 ' A' ' 125' ' ' THR . 18.4 m -74.88 -22.81 17.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 72.13 111.128 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.6 tt -68.24 -46.12 71.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 75.32 110.898 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.461 ' CG2' HG22 ' A' ' 45' ' ' VAL . 5.4 mt -65.72 -43.49 93.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 64.41 111.134 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.3 m -59.9 -48.66 80.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 54.52 111.092 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.665 ' HA ' HD12 ' A' ' 26' ' ' ILE . 1.9 p -56.17 -39.03 71.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 73.15 110.896 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.4 mt -59.54 -45.59 91.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 72.24 110.932 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.02 -29.47 69.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 71.43 111.069 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.665 HD12 ' HA ' ' A' ' 23' ' ' SER . 53.2 mt -72.3 -38.64 62.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 64.21 111.18 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 mt -60.86 -48.16 83.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 65.12 110.903 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 36.6 t -58.55 -38.04 68.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 63.22 111.151 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -73.51 -25.99 60.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 75.12 110.859 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -85.55 -15.82 41.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.195 -0.457 . . . . 73.33 110.963 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.2 mp -111.56 160.66 28.64 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.608 0.718 . . . . 74.12 110.946 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 97.15 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.739 2.293 . . . . 71.04 112.344 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.44 94.97 1.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 52.14 110.864 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -130.75 21.55 5.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 61.24 110.913 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.35 -20.24 57.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 52.01 110.887 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 140.05 -10.25 3.06 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.76 -0.733 . . . . 61.33 112.502 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.94 -30.04 32.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.855 0.36 . . . . 52.4 110.863 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.26 -54.73 41.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 74.31 110.94 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.6 mtm -57.81 -47.51 82.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 42.35 110.897 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 54.6 m -58.27 -27.62 64.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 73.23 111.176 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.5 HD23 HG23 ' A' ' 45' ' ' VAL . 2.7 tt -76.32 -37.69 57.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 44.14 110.911 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -56.61 -42.2 78.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 72.12 110.866 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 98.2 mt -69.6 -40.41 79.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 42.3 111.121 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 54.2 m -60.68 -53.26 59.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 64.23 110.853 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.5 HG23 HD23 ' A' ' 41' ' ' LEU . 11.1 t -53.35 -41.98 46.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 73.43 111.135 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.4 tp -69.25 -37.65 78.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 53.52 110.934 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.16 -51.67 68.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 70.31 110.951 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.09 -36.93 73.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 41.52 111.099 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.2 tp -64.29 -43.41 94.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 73.21 110.926 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.58 -34.93 71.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 72.01 111.134 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 42.3 t -61.51 -61.6 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 65.31 111.137 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.547 ' O ' HD12 ' A' ' 56' ' ' ILE . 1.4 m-85 -62.61 -37.42 86.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 71.24 110.907 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.8 tp -57.51 -52.96 63.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 63.12 110.867 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.8 tp -57.36 -38.12 73.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 62.34 110.935 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.11 -62.33 1.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 73.52 110.917 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.547 HD12 ' O ' ' A' ' 52' ' ' PHE . 1.7 mp . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 73.33 111.115 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.917 0.389 . . . . 74.11 110.844 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.9 m -70.19 -22.54 24.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 64.33 111.142 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -73.64 -32.47 59.37 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.733 -0.746 . . . . 74.11 112.456 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -62.7 -58.8 6.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.877 0.37 . . . . 65.25 110.906 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -60.3 -37.98 82.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 72.22 110.926 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 25.1 tp -62.92 -39.49 94.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.499 . . . . 75.2 110.886 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 7.1 tpp -56.13 -53.41 57.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 75.2 110.893 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.11 -26.38 65.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 73.3 110.873 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.0 m -69.64 -40.62 76.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 41.12 111.11 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -68.96 -30.17 68.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 72.34 110.892 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 5.6 t -70.83 -51.78 33.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 70.31 111.145 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.63 -46.04 84.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 74.32 110.9 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.3 t -59.1 -40.32 80.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 72.05 111.097 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.494 ' O ' HG23 ' A' ' 86' ' ' VAL . 3.4 m -59.52 -40.43 87.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 70.42 111.199 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -63.66 -42.14 98.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 64.02 110.925 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.09 -56.29 23.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 65.53 110.859 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 27.4 mm -52.65 -43.39 43.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 70.41 111.093 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 82' ' ' THR . 42.6 t -54.38 -39.74 45.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 65.24 111.085 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.424 ' O ' HG23 ' A' ' 91' ' ' VAL . 0.2 OUTLIER -74.75 -30.31 61.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 62.34 111.133 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 75.3 m -67.04 -51.0 60.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 61.44 110.895 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 38.4 t -59.87 -36.16 64.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 63.45 111.115 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 1.2 m -60.73 -43.71 97.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 70.44 110.897 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 87' ' ' THR . 69.7 t -56.14 -50.81 68.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 71.21 111.113 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.7 mm? . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 70.42 110.912 179.962 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.487 -0.245 . . . . 22.23 112.487 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.21 -35.95 16.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.837 0.351 . . . . 74.22 111.132 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -70.86 -53.11 16.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 71.52 110.846 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -26.58 62.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 74.14 110.869 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 31.4 mt -73.6 -54.04 9.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 74.35 110.928 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -60.87 -32.6 72.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 73.42 110.847 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.654 ' O ' HG23 ' A' ' 118' ' ' VAL . 1.4 mm? -71.42 -46.28 60.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 73.43 110.913 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 8.0 t90 -57.22 -55.66 31.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 75.13 110.92 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 26.1 pt -59.58 -25.62 32.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 51.41 111.092 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -74.98 -37.38 61.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 71.24 110.868 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 114' ' ' LEU . 41.1 t -67.55 -29.36 45.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 71.34 111.142 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -71.09 -55.57 7.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 71.13 110.844 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 10.5 p -61.52 -33.57 57.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 63.44 111.14 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -68.91 -55.53 10.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 53.52 110.87 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 70.8 t -63.28 -48.39 87.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 64.52 111.137 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -62.28 -38.59 89.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 61.45 110.826 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -70.03 -57.9 6.62 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.746 . . . . 60.31 112.471 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.578 HG21 ' CG1' ' A' ' 19' ' ' VAL . 38.0 p -54.93 -59.5 4.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.79 0.328 . . . . 74.33 111.175 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 49.8 mm -56.3 -31.83 33.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 73.15 111.11 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -54.63 -55.39 27.53 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.708 -0.758 . . . . 63.24 112.467 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 21.9 ptp -82.12 -22.14 36.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.804 0.335 . . . . 75.44 110.894 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -72.51 -22.32 61.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 75.35 110.89 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.148 -0.478 . . . . 71.1 110.928 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.521 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 1.8 tt0 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 121.637 0.732 . . . . 72.51 110.854 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.6 Cg_endo -69.74 -18.9 36.83 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.664 2.243 . . . . 72.31 112.36 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.26 -16.16 53.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 73.22 110.913 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -58.75 -23.31 59.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 64.4 110.866 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.525 ' OH ' HD21 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -79.29 -60.65 2.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 74.51 110.904 -179.817 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.735 ' O ' HD12 ' A' ' 15' ' ' ILE . 3.7 t -52.18 -40.52 61.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 62.11 111.16 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 91.1 mt -63.16 -43.9 99.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 75.51 111.151 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -67.71 -14.2 62.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 73.33 110.907 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.92 -24.36 22.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.473 . . . . 73.21 110.894 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.735 HD12 ' O ' ' A' ' 11' ' ' THR . 1.3 mp -78.73 -32.19 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 61.33 111.132 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.537 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 3.7 mt -51.97 -57.5 14.72 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.622 0.725 . . . . 75.52 111.107 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.5 Cg_endo -69.77 -33.64 16.16 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.689 2.259 . . . . 74.22 112.319 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.0 t -53.05 -58.72 6.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 71.31 110.878 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 58.2 t -62.86 -45.88 97.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 74.04 111.16 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.5 mt -53.95 -43.0 69.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 72.03 110.952 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.621 HG21 HG23 ' A' ' 45' ' ' VAL . 11.6 mt -55.77 -47.26 79.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 72.11 111.193 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.9 m -58.02 -53.67 55.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 63.23 111.122 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 t -52.81 -39.36 62.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 42.03 110.863 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.73 -42.61 71.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 73.12 110.908 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.95 -32.03 72.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 45.01 111.085 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.48 HD11 HG22 ' A' ' 118' ' ' VAL . 96.8 mt -73.02 -51.27 27.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 74.23 111.156 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.4 mt -52.75 -31.06 36.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 71.13 110.938 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.1 t -70.69 -43.88 77.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 62.12 111.169 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -74.43 -25.63 59.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 62.13 110.882 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.505 ' C ' HD22 ' A' ' 31' ' ' LEU . 0.1 OUTLIER -80.99 -30.83 34.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 71.34 110.988 -179.905 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.505 HD22 ' C ' ' A' ' 30' ' ' TYR . 4.6 mm? -123.24 69.87 41.41 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.631 0.729 . . . . 54.31 110.893 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 85.38 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.703 2.269 . . . . 65.44 112.366 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.9 p -109.06 -35.65 6.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.424 . . . . 63.42 110.869 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -124.25 127.69 48.06 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.177 -0.465 . . . . 75.32 110.903 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 13.3 t -75.74 -26.49 57.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 62.14 110.899 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -79.43 -7.48 88.45 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.752 -0.737 . . . . 64.22 112.426 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -71.57 -28.65 63.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.903 0.382 . . . . 64.32 110.874 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.2 mptt -62.13 -45.36 93.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 73.54 110.884 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.6 mmm -64.52 -48.08 76.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 71.03 110.874 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.457 ' HA ' HD12 ' A' ' 43' ' ' ILE . 71.8 p -56.48 -34.71 67.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 63.41 111.162 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.589 ' O ' HG12 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -64.98 -48.45 73.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 71.12 110.904 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 8.7 t -54.45 -33.32 59.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 70.03 110.897 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.457 HD12 ' HA ' ' A' ' 40' ' ' THR . 9.0 mt -76.39 -42.03 36.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 65.13 111.14 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.56 -53.8 36.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 65.21 110.883 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.621 HG23 HG21 ' A' ' 21' ' ' ILE . 8.2 p -58.03 -32.85 44.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 74.22 111.148 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.68 -41.21 54.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 75.12 110.926 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.6 tp -59.7 -51.23 70.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 63.25 110.974 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.17 -50.63 66.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 70.01 111.081 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 54.1 mt -62.64 -26.88 68.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 64.23 110.93 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 99.1 m -81.23 -26.75 35.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 70.14 111.123 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.7 t -65.83 -60.61 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 71.22 111.143 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.599 ' O ' HD12 ' A' ' 56' ' ' ILE . 12.4 m-85 -63.69 -38.41 91.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 74.44 110.897 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 23.8 tp -53.61 -54.87 31.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 64.34 110.931 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.58 -34.03 66.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 63.1 110.943 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.525 HD21 ' OH ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -52.11 -57.38 9.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 61.24 110.973 179.837 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.599 HD12 ' O ' ' A' ' 52' ' ' PHE . 3.7 mp . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 71.32 111.118 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.871 0.367 . . . . 64.12 110.844 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.57 HG21 HG21 ' A' ' 56' ' ' ILE . 10.6 p -64.52 -33.36 62.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 73.23 111.139 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -63.47 -39.06 97.28 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.776 -0.726 . . . . 73.2 112.444 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.33 -52.89 62.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.844 0.354 . . . . 74.52 110.866 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -68.35 -40.14 81.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 75.45 110.968 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 11.7 tp -57.15 -46.09 83.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 71.11 110.937 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 1.5 ttt -57.75 -53.04 62.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 52.23 110.864 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -61.7 -32.45 72.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 73.42 110.906 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.445 ' O ' HG23 ' A' ' 81' ' ' VAL . 1.5 m -69.0 -51.6 37.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 71.43 111.148 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.9 mmt -57.29 -42.34 81.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 63.03 110.878 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 40.7 t -54.46 -57.87 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 75.25 111.126 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.71 -42.09 96.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 63.54 110.887 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 77' ' ' THR . 24.8 t -55.05 -51.33 55.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 70.34 111.165 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.457 ' O ' HG23 ' A' ' 86' ' ' VAL . 7.2 m -51.88 -45.16 64.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 73.41 111.13 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -68.6 -45.13 72.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 74.05 110.845 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.75 -47.67 70.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 52.11 110.859 -179.757 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 29.3 mm -61.1 -41.06 87.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 64.22 111.107 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 82' ' ' THR . 54.8 t -60.82 -43.85 96.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 74.24 111.117 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.29 -33.93 65.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 75.42 111.148 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.75 -61.35 2.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 74.4 110.859 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 34.8 m -65.23 -22.19 30.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 75.41 111.114 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 8.6 t -69.0 -31.17 69.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 61.13 110.848 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 37.1 t -89.36 -35.58 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 62.11 111.124 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.4 tp . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 73.25 110.895 179.986 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.502 -0.239 . . . . 72.13 112.502 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.2 -35.99 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.83 0.348 . . . . 74.14 111.122 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.511 ' O ' HD12 ' A' ' 114' ' ' LEU . 6.7 m-20 -67.71 -55.39 13.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 72.32 110.863 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -29.48 67.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 63.11 110.879 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.0 mt -64.41 -56.08 16.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 75.11 110.923 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.25 -24.6 64.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 75.42 110.879 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.511 HD12 ' O ' ' A' ' 110' ' ' ASP . 0.3 OUTLIER -68.25 -43.37 78.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 71.55 110.926 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -80.21 -42.38 23.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 74.22 110.906 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 1.1 tt -56.32 -24.74 18.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.27 -0.423 . . . . 65.13 111.124 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.13 -59.24 2.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 74.22 110.842 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.48 HG22 HD11 ' A' ' 26' ' ' ILE . 65.7 t -52.53 -29.43 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 70.12 111.162 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -69.52 -61.33 1.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 74.02 110.88 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 9.3 p -60.88 -30.48 47.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 71.21 111.109 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.52 -46.13 77.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 71.12 110.907 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 19.5 t -68.25 -37.94 78.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 74.24 111.136 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -62.23 -55.78 25.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 72.51 110.864 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -63.38 -47.47 87.28 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.726 -0.749 . . . . 61.22 112.52 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.8 m -58.14 -58.82 6.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.774 0.321 . . . . 64.25 111.185 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 17.8 mm -57.04 -30.26 33.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 45.23 111.118 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -56.58 -56.76 22.93 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.736 -0.745 . . . . 73.12 112.467 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 11.4 ptp -80.41 -24.0 39.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 70.34 110.888 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -70.99 -14.19 62.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 73.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 71.32 110.911 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.526 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 1.6 tt0 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.635 0.731 . . . . 71.33 110.88 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.7 Cg_endo -69.79 -28.98 24.44 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.676 2.251 . . . . 51.13 112.298 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.819 HD23 HD11 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -65.48 -16.31 63.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.261 -0.427 . . . . 62.13 110.929 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -61.23 -21.08 63.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 72.15 110.864 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -78.57 -60.89 2.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 72.33 110.951 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.2 t -53.67 -40.68 66.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.506 . . . . 51.2 111.14 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.819 HD11 HD23 ' A' ' 8' ' ' LEU . 84.0 mt -63.2 -41.27 92.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 64.04 111.12 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.413 ' HA ' HD12 ' A' ' 16' ' ' ILE . 14.0 t30 -70.71 -11.17 60.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 70.54 110.885 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.588 HD21 ' CD1' ' A' ' 52' ' ' PHE . 0.6 OUTLIER -89.01 -27.53 20.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 72.13 110.934 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.586 HD11 ' CG ' ' A' ' 128' ' ' MET . 40.2 mm -79.3 -30.67 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 74.44 111.11 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.54 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 2.4 mt -51.76 -57.43 14.74 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.653 0.74 . . . . 65.34 111.167 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.54 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.5 Cg_endo -69.79 -37.9 8.47 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.679 2.252 . . . . 75.14 112.329 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -52.6 -49.28 65.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 52.13 110.87 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 15' ' ' ILE . 49.2 t -67.09 -44.25 88.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 65.14 111.135 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -57.29 -41.26 79.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 62.45 110.926 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.716 HD11 ' HB1' ' A' ' 48' ' ' ALA . 11.5 mt -57.5 -46.89 85.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 52.31 111.141 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.48 HG23 ' CD1' ' A' ' 117' ' ' PHE . 30.0 m -63.91 -52.96 57.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 73.45 111.11 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.21 -36.18 60.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 73.24 110.878 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.85 -43.88 97.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 74.12 110.935 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.17 -32.82 73.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 74.24 111.069 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 63.4 mt -72.9 -40.91 60.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 71.41 111.124 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -66.07 -41.38 90.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 53.43 110.954 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.1 t -56.71 -54.73 25.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 64.52 111.139 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.592 ' CB ' HD11 ' A' ' 114' ' ' LEU . 0.9 OUTLIER -57.37 -28.65 63.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 74.32 110.892 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -81.18 -24.98 37.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 74.13 110.924 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 mp -119.9 68.68 12.6 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.62 0.724 . . . . 63.43 110.893 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 80.55 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.64 2.227 . . . . 63.51 112.36 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.59 -32.84 58.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 75.14 110.894 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -165.97 173.76 10.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 64.12 110.834 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 59.5 m -82.9 -22.49 33.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 74.34 110.853 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -78.42 -18.32 76.19 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.799 -0.715 . . . . 74.35 112.505 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -53.68 -39.86 65.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.961 0.41 . . . . 73.24 110.892 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -57.28 -42.67 82.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 74.24 110.899 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.16 -39.82 83.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 72.32 110.91 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.7 m -63.49 -37.22 86.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 55.53 111.198 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.1 tp -70.44 -34.31 72.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 70.32 110.903 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 51.8 t -59.06 -41.08 87.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 51.42 110.888 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.9 mt -71.72 -36.47 59.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 54.1 111.144 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.5 t -68.07 -54.5 17.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 70.35 110.874 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.659 HG23 HG23 ' A' ' 21' ' ' ILE . 0.7 OUTLIER -60.98 -22.97 28.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 74.41 111.111 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.04 -49.63 55.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 73.4 110.905 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.546 ' O ' HG23 ' A' ' 51' ' ' VAL . 4.5 mp -58.42 -34.2 70.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 75.22 110.895 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.716 ' HB1' HD11 ' A' ' 21' ' ' ILE . . . -58.94 -52.71 64.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 64.05 111.123 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.66 HD21 ' CG2' ' A' ' 77' ' ' THR . 0.2 OUTLIER -56.32 -34.76 66.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 72.2 110.919 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.1 -32.59 74.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 63.22 111.13 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 47' ' ' LEU . 36.9 t -64.62 -48.09 86.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 72.33 111.146 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.695 ' CE1' HD11 ' A' ' 56' ' ' ILE . 11.7 t80 -55.02 -45.28 75.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 73.12 110.873 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.37 -58.43 8.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 63.1 110.965 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.4 tp -53.22 -33.63 53.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 71.45 110.924 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.23 -59.44 4.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 73.35 110.921 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.695 HD11 ' CE1' ' A' ' 52' ' ' PHE . 4.0 mp . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 63.34 111.143 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.7 t . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.886 0.374 . . . . 63.15 110.851 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.9 m -59.7 -32.6 49.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 71.34 111.149 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -80.21 -39.43 15.84 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.775 -0.726 . . . . 64.24 112.468 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.45 -62.0 2.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.833 0.349 . . . . 74.4 110.894 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -56.26 -45.94 79.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 74.04 110.937 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 31.4 tp -58.5 -31.13 67.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 73.33 110.926 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 2.7 tpt -61.38 -52.41 64.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 73.32 110.908 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -67.54 -25.8 65.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 74.34 110.885 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.66 ' CG2' HD21 ' A' ' 49' ' ' LEU . 4.8 m -72.9 -32.8 65.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.111 -0.495 . . . . 42.15 111.135 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 7.9 mmt -71.83 -55.41 7.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 73.34 110.823 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 6.7 p -52.35 -35.43 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 65.4 111.165 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.9 mt -69.63 -53.13 20.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 65.03 110.906 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 77' ' ' THR . 97.0 t -54.77 -33.68 28.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 74.42 111.101 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 72.6 m -64.29 -44.29 92.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 72.41 111.165 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -62.74 -33.33 74.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 63.32 110.883 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.5 t -63.14 -45.3 92.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 62.31 110.851 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 26.3 mm -61.64 -38.22 79.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 73.44 111.151 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 69.0 t -61.28 -46.87 95.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 74.2 111.117 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 25.4 p -71.09 -30.98 67.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 33.5 111.139 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.3 t -59.37 -53.03 62.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 53.41 110.894 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 59.5 t -61.45 -36.29 72.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 72.14 111.1 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -53.42 -48.51 68.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 62.32 110.893 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 94.6 t -69.82 -27.05 31.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 73.14 111.148 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.2 tp . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 75.13 110.913 179.955 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.47 -0.252 . . . . 65.43 112.47 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.17 -35.98 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.84 0.352 . . . . 74.52 111.162 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -74.58 -55.53 5.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 73.31 110.864 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.43 -30.23 39.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 73.22 110.883 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 18.4 mt -69.72 -42.13 74.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.147 -0.479 . . . . 64.45 110.932 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -75.01 -23.74 58.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 71.53 110.906 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.592 HD11 ' CB ' ' A' ' 29' ' ' PHE . 0.5 OUTLIER -78.8 -43.28 25.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.099 -0.5 . . . . 74.23 110.883 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -60.2 -50.87 71.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.24 -0.436 . . . . 74.33 110.963 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 2.4 pp -63.5 -31.45 52.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 73.4 111.124 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.48 ' CD1' HG23 ' A' ' 22' ' ' THR . 0.1 OUTLIER -53.57 -51.13 63.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 72.51 110.878 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 24.3 t -66.6 -36.6 77.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 53.01 111.108 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -54.86 -56.76 15.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 71.44 110.849 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.6 p -65.7 -30.15 49.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 75.35 111.111 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 2.0 t -66.42 -44.84 81.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 53.44 110.882 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 9.3 t -65.11 -38.42 82.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 62.25 111.126 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -65.61 -44.75 85.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 71.21 110.841 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -73.56 -48.59 17.34 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.752 -0.737 . . . . 65.13 112.477 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.442 ' OG1' HG22 ' A' ' 19' ' ' VAL . 10.0 m -53.01 -55.44 23.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.77 0.319 . . . . 74.43 111.117 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 38.0 mm -71.69 -22.59 21.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 71.31 111.136 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -58.55 -40.63 94.78 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.704 -0.76 . . . . 74.33 112.483 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' MET . . . . . 0.586 ' CG ' HD11 ' A' ' 15' ' ' ILE . 5.2 mmt -84.86 -30.92 24.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.765 0.317 . . . . 63.45 110.866 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -76.01 -14.22 60.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 52.33 110.896 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 1.9 tt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.497 . . . . 43.43 110.919 -179.975 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.52 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 5.1 tt0 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 121.645 0.736 . . . . 65.32 110.896 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.5 Cg_endo -69.71 -20.66 34.76 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.702 2.268 . . . . 64.22 112.335 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.06 -15.44 47.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 51.33 110.929 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -77.17 -25.01 51.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 75.22 110.875 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.627 ' CE1' HD12 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -70.79 -54.19 12.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 64.41 110.933 -179.855 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.72 ' O ' HD12 ' A' ' 15' ' ' ILE . 5.2 t -57.49 -39.45 76.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 73.02 111.104 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 66.3 mt -63.22 -34.52 67.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 62.33 111.131 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -77.01 -15.65 59.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 72.44 110.925 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.627 HD12 ' CE1' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -88.93 -27.55 20.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 63.1 110.95 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.72 HD12 ' O ' ' A' ' 11' ' ' THR . 2.4 mt -79.44 -30.73 13.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 72.23 111.082 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.533 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 1.5 mm -51.69 -57.49 14.43 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.634 0.73 . . . . 65.24 111.156 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.6 Cg_endo -69.77 -38.21 8.09 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.684 2.256 . . . . 73.35 112.349 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.2 t -52.03 -58.65 5.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 70.3 110.9 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 15' ' ' ILE . 20.4 t -62.91 -47.51 92.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 73.21 111.115 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.9 mt -51.95 -42.23 62.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 72.43 110.92 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.746 HD11 ' HB1' ' A' ' 48' ' ' ALA . 6.1 mt -57.0 -48.32 81.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 72.4 111.149 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 75.3 m -62.9 -54.74 33.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 75.14 111.124 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.66 -46.56 67.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 72.01 110.877 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.3 mt -53.25 -37.4 62.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.496 . . . . 54.5 110.908 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.75 -33.87 64.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 73.0 111.109 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.457 HD11 HG22 ' A' ' 118' ' ' VAL . 86.9 mt -71.67 -50.87 36.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 74.41 111.132 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 67.1 mt -54.59 -41.74 70.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 62.13 110.907 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.795 HG21 ' HB2' ' A' ' 41' ' ' LEU . 5.0 t -57.6 -45.89 86.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 64.41 111.128 179.79 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -75.77 -23.94 55.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 74.2 110.889 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -81.23 -19.37 43.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 72.43 110.9 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.29 69.8 51.89 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.556 0.693 . . . . 74.34 110.928 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 83.69 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.669 2.246 . . . . 62.52 112.331 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -98.19 -176.48 3.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 60.32 110.879 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.29 35.36 3.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.125 -0.489 . . . . 62.15 110.846 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 m -105.31 -23.77 12.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.445 . . . . 64.42 110.914 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 105.97 34.62 3.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 61.34 112.469 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.422 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.3 OUTLIER -59.97 -25.36 65.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.952 0.406 . . . . 75.04 110.912 -179.861 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -63.4 -58.41 7.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 73.33 110.878 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.5 mmt -61.01 -36.2 78.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 74.43 110.895 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 56.0 m -63.02 -34.1 76.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 73.44 111.117 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.795 ' HB2' HG21 ' A' ' 28' ' ' VAL . 9.9 tp -65.39 -45.48 83.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.262 -0.426 . . . . 62.11 110.947 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.7 t -54.05 -42.28 69.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 73.33 110.885 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 85.2 mt -76.26 -31.32 20.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 74.35 111.094 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.0 t -64.92 -58.48 6.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 63.33 110.891 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.726 HG22 HG23 ' A' ' 21' ' ' ILE . 5.1 t -54.39 -47.39 69.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 75.1 111.109 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.38 -47.08 79.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 71.14 110.955 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.406 ' O ' HG23 ' A' ' 51' ' ' VAL . 12.6 tp -54.5 -39.93 68.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 63.21 110.944 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.746 ' HB1' HD11 ' A' ' 21' ' ' ILE . . . -56.52 -46.47 80.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 61.22 111.09 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.2 tt -54.55 -45.1 73.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 74.23 110.903 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.9 -35.9 71.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 73.41 111.104 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 47' ' ' LEU . 35.7 t -59.37 -45.68 93.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 63.32 111.159 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.687 ' O ' HD12 ' A' ' 56' ' ' ILE . 15.6 m-85 -56.69 -44.14 81.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 70.34 110.892 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.9 tt -51.86 -59.09 4.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 60.44 110.913 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.03 -34.47 65.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 61.15 110.912 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.65 -64.73 0.72 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 64.34 110.932 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.687 HD12 ' O ' ' A' ' 52' ' ' PHE . 3.1 mp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 71.43 111.106 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.933 0.397 . . . . 71.23 110.861 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 30.7 m -55.6 -34.52 35.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.109 -0.496 . . . . 53.12 111.141 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.05 -51.73 4.6 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.725 -0.75 . . . . 53.44 112.471 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.53 -44.82 65.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.902 0.382 . . . . 75.25 110.878 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -64.9 -43.07 94.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 71.45 110.9 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.31 -42.46 70.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.495 . . . . 73.25 110.868 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 2.2 ttp -61.35 -50.19 73.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 64.41 110.868 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -62.72 -34.13 76.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 64.15 110.914 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 9.6 m -72.13 -34.42 68.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 71.02 111.13 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -61.84 -48.23 81.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 73.32 110.893 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 4.8 p -69.79 -28.24 36.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 70.41 111.13 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.05 -43.37 58.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 62.11 110.9 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 25.1 t -65.4 -46.93 88.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 62.32 111.089 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 33.6 m -52.74 -52.18 57.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 64.01 111.134 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -68.79 -30.04 68.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 75.24 110.881 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.3 m -62.19 -53.51 54.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 73.33 110.85 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 17.4 mm -54.28 -49.31 64.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 72.31 111.101 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 11.3 t -51.82 -58.25 2.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 64.45 111.168 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.89 -29.7 65.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 74.33 111.154 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.47 -60.23 2.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 62.21 110.869 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.72 -32.44 51.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 71.22 111.115 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 2.3 m -59.39 -41.31 89.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 60.12 110.864 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.9 t -74.93 -33.19 29.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 65.43 111.155 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 74.21 110.946 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.462 -0.255 . . . . 43.44 112.462 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.17 -36.0 16.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.822 0.344 . . . . 74.4 111.101 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.615 ' C ' HD12 ' A' ' 114' ' ' LEU . 95.9 m-20 -66.12 -59.25 3.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 60.22 110.858 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -55.18 -27.19 43.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 74.34 110.897 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.0 mt -67.34 -57.33 6.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 72.35 110.936 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.0 -24.56 63.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 74.34 110.884 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.615 HD12 ' C ' ' A' ' 110' ' ' ASP . 0.3 OUTLIER -68.26 -43.29 78.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 74.41 110.948 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 21.6 t90 -80.16 -42.46 23.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 71.13 110.92 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 1.1 tt -56.26 -24.73 18.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 62.22 111.178 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.11 -57.73 3.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 63.24 110.921 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.67 ' O ' HG23 ' A' ' 122' ' ' VAL . 97.9 t -51.78 -29.92 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 71.42 111.112 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -70.85 -57.06 4.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 72.02 110.86 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 10.3 p -63.24 -24.39 35.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 55.52 111.073 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.64 -38.14 67.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 72.43 110.881 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 118' ' ' VAL . 74.8 t -63.84 -43.71 97.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 63.13 111.115 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -66.58 -45.42 79.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 72.15 110.907 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -66.93 -53.92 24.36 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.688 -0.767 . . . . 35.53 112.513 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 53.2 m -53.96 -52.84 59.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.788 0.328 . . . . 70.31 111.176 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 26.3 mt -57.07 -36.55 51.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 75.21 111.159 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -57.53 -37.05 80.6 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.755 -0.736 . . . . 53.25 112.471 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' MET . . . . . 0.532 ' HB3' HD11 ' A' ' 15' ' ' ILE . 27.6 mmt -67.02 -46.74 73.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.813 0.339 . . . . 74.41 110.892 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -73.5 -14.02 61.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 74.42 110.868 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.5 tt . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 74.02 110.904 -179.95 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.506 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 6.1 tt0 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 121.656 0.741 . . . . 61.33 110.884 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 54.3 Cg_endo -69.76 -21.24 33.76 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.698 2.266 . . . . 71.43 112.359 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.454 HD23 ' CG1' ' A' ' 12' ' ' ILE . 0.3 OUTLIER -75.28 -16.16 60.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 65.32 110.873 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -61.91 -24.26 66.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 72.15 110.869 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -74.95 -59.74 2.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 75.43 110.871 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.705 ' O ' HD12 ' A' ' 15' ' ' ILE . 4.2 t -54.23 -38.41 65.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.505 . . . . 63.01 111.127 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.454 ' CG1' HD23 ' A' ' 8' ' ' LEU . 6.8 mm -59.54 -47.83 89.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 71.3 111.098 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -67.1 -13.68 62.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 72.43 110.9 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.439 HD11 HD11 ' A' ' 56' ' ' ILE . 0.5 OUTLIER -89.0 -24.38 22.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 72.3 110.918 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.705 HD12 ' O ' ' A' ' 11' ' ' THR . 1.4 mp -78.78 -32.37 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 74.1 111.12 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.541 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 2.0 mm -51.78 -57.44 14.71 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.655 0.74 . . . . 74.22 111.154 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.7 Cg_endo -69.77 -34.49 14.45 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.721 2.281 . . . . 72.44 112.321 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -52.39 -55.4 21.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 72.34 110.877 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.814 HG22 HG21 ' A' ' 125' ' ' THR . 9.1 t -71.47 -28.14 30.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 62.31 111.121 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.0 tt -65.84 -45.55 81.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 72.4 110.916 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.61 ' CG2' HG22 ' A' ' 45' ' ' VAL . 7.3 mt -65.27 -42.42 93.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 63.21 111.17 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -59.14 -49.13 79.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.126 -0.488 . . . . 74.42 111.156 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.504 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -52.49 -45.59 66.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 54.25 110.856 -179.838 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.726 HD22 HD21 ' A' ' 41' ' ' LEU . 0.1 OUTLIER -56.03 -48.91 75.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 43.25 110.897 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.96 -27.01 69.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 70.41 111.061 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.504 HD12 ' HA ' ' A' ' 23' ' ' SER . 48.9 mt -78.97 -46.24 23.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 53.12 111.138 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.09 -41.39 92.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 74.54 110.907 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 43.3 t -64.75 -40.69 89.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 65.23 111.138 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.59 -35.44 74.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 74.52 110.888 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.495 ' C ' HD12 ' A' ' 31' ' ' LEU . 7.2 m-85 -81.9 -26.6 33.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 72.31 110.955 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.495 HD12 ' C ' ' A' ' 30' ' ' TYR . 6.9 mp -133.96 71.13 74.16 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.561 0.696 . . . . 73.44 110.885 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 175.5 7.99 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.685 2.257 . . . . 73.15 112.337 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.52 165.32 27.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 55.44 110.891 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -81.65 -13.26 58.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 70.33 110.894 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -79.55 -6.42 56.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 70.23 110.886 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 75.26 41.68 30.52 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.744 . . . . 64.13 112.509 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -61.27 -31.68 71.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.886 0.374 . . . . 74.12 110.839 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.8 tptt -68.89 -33.83 74.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 75.04 110.893 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.1 mtp -63.35 -58.67 6.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 73.11 110.909 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 5.5 t -57.31 -27.11 61.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 65.11 111.118 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.726 HD21 HD22 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -68.47 -49.87 56.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 64.34 110.922 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.0 t -52.71 -43.21 65.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 75.44 110.903 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 59.9 mt -64.44 -37.63 80.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 64.43 111.114 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.9 m -70.44 -49.63 46.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 73.23 110.855 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.61 HG22 ' CG2' ' A' ' 21' ' ' ILE . 3.5 t -52.21 -40.28 30.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 71.13 111.13 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.23 -45.9 86.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 74.14 110.86 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.513 ' O ' HG23 ' A' ' 51' ' ' VAL . 3.8 tt -61.67 -47.88 83.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 73.12 110.912 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.52 -44.69 72.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 70.21 111.051 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.67 -40.48 92.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 75.23 110.96 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 46.1 m -65.78 -38.37 88.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 74.15 111.13 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 47' ' ' LEU . 64.3 t -59.15 -53.94 41.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.425 . . . . 71.24 111.114 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -65.82 -39.03 90.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 74.45 110.864 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.0 tt -57.65 -37.94 74.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 74.54 110.896 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.6 mp -70.31 -39.38 74.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 64.12 110.923 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.16 -61.57 2.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 75.32 110.875 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.439 HD11 HD11 ' A' ' 14' ' ' LEU . 1.4 mp . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 74.44 111.122 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.917 0.389 . . . . 73.11 110.848 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 34.8 m -60.19 -25.45 33.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 72.35 111.132 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -72.3 -33.88 61.35 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.719 -0.753 . . . . 50.4 112.484 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -63.18 -57.04 11.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 74.33 110.903 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -53.48 -40.86 65.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 73.12 110.919 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.37 -37.77 88.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 61.32 110.883 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 2.1 ttt -59.95 -56.25 24.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 63.03 110.895 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -65.14 -29.09 69.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 44.31 110.904 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 16.4 m -68.83 -48.81 62.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.162 -0.472 . . . . 72.14 111.14 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.8 mmt -57.09 -35.04 68.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 74.21 110.891 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 30.9 t -65.72 -59.72 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 63.3 111.146 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.6 tp -56.89 -45.85 82.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 74.42 110.928 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.7 t -57.13 -47.32 84.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 61.4 111.138 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.8 m -51.93 -42.17 62.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 63.23 111.165 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.98 -50.39 70.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 65.0 110.879 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 82.4 p -64.38 -46.01 85.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 70.32 110.849 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 17.6 mm -58.38 -43.15 85.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 65.32 111.133 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 10.4 t -53.33 -60.94 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 63.3 111.13 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.5 ' O ' HG23 ' A' ' 91' ' ' VAL . 0.5 OUTLIER -57.83 -23.83 54.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 74.24 111.171 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.42 -51.58 59.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 62.23 110.883 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 38.9 t -68.57 -36.83 76.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 74.13 111.125 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 32.6 t -56.1 -33.15 64.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 72.55 110.92 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 87' ' ' THR . 76.0 t -76.79 -37.77 28.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 73.33 111.161 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 62.34 110.911 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.463 -0.255 . . . . 62.22 112.463 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.18 -36.03 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.791 0.329 . . . . 52.22 111.07 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -70.46 -51.96 25.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 74.15 110.879 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -53.72 -38.69 64.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 75.04 110.883 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.0 tp -64.1 -50.64 67.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 74.33 110.874 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -62.93 -37.11 85.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 74.2 110.887 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.0 -46.5 65.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 72.02 110.902 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 24.2 t90 -55.99 -51.92 66.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 74.32 110.923 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 27.9 pt -64.78 -29.47 47.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 72.02 111.126 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -65.58 -35.42 80.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 62.54 110.885 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.632 ' O ' HG23 ' A' ' 122' ' ' VAL . 98.0 t -72.93 -34.47 46.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 72.44 111.153 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.88 -61.85 2.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 73.23 110.835 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 11.2 p -57.29 -29.74 33.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 41.24 111.115 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 1.8 m -73.46 -28.81 62.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 75.24 110.915 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 118' ' ' VAL . 25.7 t -70.41 -61.59 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 73.41 111.14 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -60.76 -27.73 68.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 72.53 110.883 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -68.98 -58.79 6.42 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.725 -0.75 . . . . 74.43 112.444 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.814 HG21 HG22 ' A' ' 19' ' ' VAL . 33.0 p -68.14 -54.09 20.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.761 0.315 . . . . 73.01 111.167 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 33.4 mm -59.64 -32.61 49.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 62.44 111.152 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -57.85 -55.36 30.99 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.75 . . . . 53.31 112.524 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 18.2 ptp -79.38 -22.09 44.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.827 0.346 . . . . 75.44 110.877 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -79.76 -13.99 59.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 72.31 110.885 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 73.13 110.904 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.54 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 5.1 tp10 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 121.667 0.746 . . . . 64.01 110.905 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.54 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 54.0 Cg_endo -69.71 -22.57 32.12 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.679 2.253 . . . . 53.31 112.331 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.46 HD23 ' CG1' ' A' ' 12' ' ' ILE . 0.7 OUTLIER -66.81 -15.17 63.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 73.44 110.89 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -63.65 -26.05 68.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 73.34 110.929 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -75.99 -59.07 2.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 65.44 110.93 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.1 t -52.92 -41.24 64.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 62.43 111.133 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.46 ' CG1' HD23 ' A' ' 8' ' ' LEU . 8.2 mm -61.49 -43.87 97.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 64.23 111.165 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -67.75 -13.25 61.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 70.44 110.921 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.02 -24.65 22.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 60.53 110.896 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.5 mm -78.64 -32.51 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 55.34 111.12 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.538 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 1.8 mm -51.77 -57.51 14.45 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.645 0.735 . . . . 63.44 111.132 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.7 Cg_endo -69.76 -34.0 15.47 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.669 2.246 . . . . 72.54 112.332 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.5 t -52.06 -56.23 15.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.279 -0.419 . . . . 74.15 110.908 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.7 m -70.45 -31.87 48.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 61.25 111.126 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.5 tp -62.26 -45.29 93.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 72.21 110.887 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.736 ' CG2' HG22 ' A' ' 45' ' ' VAL . 11.1 mt -64.0 -39.17 84.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 73.41 111.11 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.0 m -55.97 -52.15 65.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 72.52 111.15 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.07 -42.59 69.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 64.03 110.824 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 mp -59.61 -45.35 92.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 72.01 110.915 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.9 -38.55 91.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 64.51 111.118 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.719 HD11 HG22 ' A' ' 118' ' ' VAL . 96.7 mt -62.24 -41.88 93.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 74.31 111.157 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.57 -30.64 70.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 74.21 110.911 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 18.9 t -67.47 -37.21 78.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 75.51 111.116 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -72.27 -26.91 62.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 72.53 110.896 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.47 ' HB3' HD12 ' A' ' 31' ' ' LEU . 0.8 OUTLIER -80.16 -29.45 38.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 75.42 110.927 -179.844 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.47 HD12 ' HB3' ' A' ' 30' ' ' TYR . 3.6 mp -137.54 73.44 48.72 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.636 0.731 . . . . 54.33 110.915 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 162.73 40.93 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.732 2.288 . . . . 74.52 112.328 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.17 162.2 35.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 63.23 110.844 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -95.42 12.26 29.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 74.13 110.864 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 56.9 m -91.61 13.25 18.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 75.11 110.894 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.35 28.71 59.4 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.742 . . . . 73.51 112.539 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -56.88 -35.72 69.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.888 0.375 . . . . 70.3 110.854 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -61.42 -55.94 25.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 74.4 110.903 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 5.6 mtt -56.37 -42.89 78.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 53.12 110.885 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.9 m -64.27 -53.83 42.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.279 -0.419 . . . . 52.54 111.126 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.488 ' CD1' HG23 ' A' ' 45' ' ' VAL . 0.1 OUTLIER -57.52 -42.93 83.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 71.32 110.907 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 39.0 t -52.41 -46.2 66.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 70.21 110.883 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.6 mt -70.18 -39.63 77.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 71.33 111.163 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.3 -50.77 72.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 73.14 110.855 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.736 HG22 ' CG2' ' A' ' 21' ' ' ILE . 9.4 t -53.86 -46.02 63.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 64.12 111.133 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 49.3 tp -71.83 -24.44 61.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 61.55 110.92 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.645 ' O ' HG23 ' A' ' 51' ' ' VAL . 0.3 OUTLIER -59.6 -49.39 77.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 64.41 110.885 179.907 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.33 -54.91 14.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 74.14 111.131 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -53.5 -32.81 51.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 72.31 110.914 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.1 m -71.09 -36.8 72.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.184 -0.462 . . . . 72.4 111.191 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 47' ' ' LEU . 70.0 t -56.4 -56.31 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 62.31 111.162 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.604 ' O ' HD12 ' A' ' 56' ' ' ILE . 5.3 m-85 -68.38 -47.51 67.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 71.45 110.852 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.27 -53.92 37.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 73.02 110.912 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 28.0 tp -55.76 -34.79 65.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 73.14 110.912 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.23 -56.82 12.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 75.11 110.861 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.604 HD12 ' O ' ' A' ' 52' ' ' PHE . 3.1 mp . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 74.23 111.126 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 63.0 m . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.887 0.375 . . . . 63.14 110.866 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.472 ' HB ' HG21 ' A' ' 56' ' ' ILE . 13.2 m -58.79 -28.0 36.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 71.14 111.147 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -77.74 -33.77 41.22 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.812 -0.708 . . . . 53.24 112.478 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -69.59 -54.76 12.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.839 0.352 . . . . 60.35 110.876 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -62.47 -29.64 70.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 75.32 110.91 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.4 tp -72.93 -36.81 67.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 62.23 110.928 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.84 -58.35 8.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 75.41 110.882 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -64.89 -33.83 76.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 71.13 110.843 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.9 m -55.11 -58.05 9.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 72.54 111.143 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.5 mmt -54.95 -38.71 68.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 61.24 110.879 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 3.7 t -60.74 -43.06 94.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 72.13 111.092 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.1 tp -72.4 -34.35 67.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 73.23 110.887 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.6 t -67.81 -49.08 72.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 73.41 111.155 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 99.0 m -53.41 -44.03 68.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 72.31 111.129 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -57.62 -45.55 85.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 71.42 110.855 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 71.0 m -56.43 -47.11 79.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 65.11 110.86 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 35.8 mm -57.47 -45.48 85.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 74.33 111.11 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 97.3 t -61.39 -26.55 39.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 65.13 111.09 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -79.46 -53.18 7.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 73.32 111.157 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 97.5 p -61.98 -38.55 88.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 65.55 110.866 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 24.7 t -63.83 -44.1 98.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 73.32 111.121 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 2.0 t -58.49 -37.38 75.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 44.35 110.907 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 80.3 t -61.26 -50.82 78.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 71.42 111.108 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 74.51 110.908 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.387 0 N-CA-C 112.526 -0.23 . . . . 45.31 112.526 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.26 -35.91 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.793 0.33 . . . . 64.44 111.156 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -62.7 -45.72 91.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 73.01 110.874 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.89 -41.9 75.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 73.05 110.878 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.33 -50.35 73.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 60.03 110.921 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.4 -31.81 66.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 75.1 110.886 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.42 ' CD2' HG23 ' A' ' 26' ' ' ILE . 0.2 OUTLIER -75.54 -47.7 25.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 74.31 110.938 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 22.2 t-105 -53.14 -43.13 66.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 73.02 110.916 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 30.0 pt -74.28 -24.19 18.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 72.31 111.113 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -73.06 -47.76 41.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 62.43 110.882 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.719 HG22 HD11 ' A' ' 26' ' ' ILE . 16.6 t -68.55 -26.06 32.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 64.24 111.113 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -64.65 -58.52 6.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 63.45 110.929 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.3 p -61.49 -24.64 34.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 71.15 111.158 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -77.83 -57.78 3.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 74.31 110.863 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 47.2 t -62.6 -43.4 98.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 52.43 111.121 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -66.6 -38.44 87.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 71.4 110.884 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -71.55 -57.48 5.98 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.762 -0.732 . . . . 64.44 112.438 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 38.4 p -56.74 -63.91 1.05 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.835 0.35 . . . . 73.15 111.14 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 28.8 mm -53.93 -29.53 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 53.22 111.111 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -53.53 -55.37 25.32 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 73.45 112.462 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 11.4 ptp -83.3 -22.75 32.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.838 0.351 . . . . 72.14 110.884 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -74.11 -15.42 61.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 50.02 110.937 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 1.1 tt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 61.23 110.909 -179.955 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.512 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.4 tt0 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 121.65 0.738 . . . . 64.51 110.903 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 54.1 Cg_endo -69.77 -25.55 28.45 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.706 2.271 . . . . 72.01 112.339 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.427 HD23 ' CD1' ' A' ' 12' ' ' ILE . 0.4 OUTLIER -67.33 -15.54 63.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 54.55 110.934 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -62.86 -20.2 64.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 73.34 110.881 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -73.78 -60.99 2.0 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.179 -0.464 . . . . 70.41 110.893 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.3 t -52.98 -37.01 60.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 72.25 111.14 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.427 ' CD1' HD23 ' A' ' 8' ' ' LEU . 27.2 mt -64.73 -42.18 94.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 75.44 111.128 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.18 -11.75 61.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 61.44 110.933 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.91 -27.15 21.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 63.01 110.914 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.6 mm -79.25 -30.69 14.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 73.53 111.102 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.537 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 0.9 OUTLIER -51.74 -57.49 14.5 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.648 0.737 . . . . 72.2 111.168 179.847 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.6 Cg_endo -69.79 -37.8 8.62 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.677 2.252 . . . . 71.52 112.352 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.0 t -52.22 -53.54 42.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 73.24 110.887 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.1 m -75.26 -25.06 17.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 74.04 111.106 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.1 tp -66.03 -56.38 11.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 52.51 110.946 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.768 HG21 HG23 ' A' ' 45' ' ' VAL . 34.9 mt -58.05 -42.77 83.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 63.1 111.095 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.507 HG23 ' CZ ' ' A' ' 117' ' ' PHE . 26.0 m -52.46 -49.94 63.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 70.44 111.14 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.98 -39.29 71.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 74.24 110.91 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.55 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -59.27 -44.8 92.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 63.41 110.908 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.05 -27.45 68.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 61.44 111.103 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 94.7 mt -77.57 -36.44 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 73.11 111.134 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.2 mp -74.74 -32.63 62.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.201 -0.454 . . . . 64.43 110.914 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 24' ' ' LEU . 53.1 t -64.06 -55.31 22.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 70.24 111.181 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -60.54 -30.13 69.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 64.33 110.831 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -76.92 -38.5 53.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 75.32 110.955 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -116.0 71.02 4.0 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.606 0.717 . . . . 44.32 110.91 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 111.28 2.77 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.678 2.252 . . . . 54.4 112.369 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.29 -18.37 18.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 73.04 110.851 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.9 t0 61.17 42.82 11.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 52.21 110.852 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -108.61 3.3 22.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 74.42 110.857 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 96.4 7.65 57.99 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.751 -0.738 . . . . 63.33 112.512 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -64.32 -27.7 69.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.905 0.383 . . . . 60.23 110.876 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.64 -53.22 60.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 72.34 110.914 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 14.8 mtm -62.65 -40.14 96.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 63.54 110.888 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 64.0 m -62.08 -38.92 90.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 64.24 111.107 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.448 ' O ' HG12 ' A' ' 45' ' ' VAL . 19.0 tp -61.1 -45.73 93.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 62.4 110.955 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 52.6 t -55.06 -41.74 71.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 51.12 110.863 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 82.4 mt -74.38 -26.5 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 73.53 111.131 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.1 m -75.63 -56.24 4.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 53.41 110.833 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.768 HG23 HG21 ' A' ' 21' ' ' ILE . 7.8 p -59.7 -28.57 40.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 72.43 111.156 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.81 -29.94 50.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 72.24 110.881 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.3 tp -70.14 -51.48 31.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 73.23 110.923 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.47 -46.74 83.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 72.52 111.107 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.483 HD11 HG21 ' A' ' 77' ' ' THR . 6.4 tp -63.14 -31.11 72.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 61.22 110.893 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 20.6 m -71.71 -34.11 69.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 74.52 111.153 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.3 t -60.79 -61.38 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 74.33 111.134 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.608 ' O ' HD12 ' A' ' 56' ' ' ILE . 5.8 m-85 -62.28 -37.79 86.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 75.11 110.95 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.2 tt -54.23 -58.82 5.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 75.14 110.908 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 17.8 mt -52.39 -33.96 45.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 62.2 110.918 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.09 -58.7 5.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 55.1 110.971 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.608 HD12 ' O ' ' A' ' 52' ' ' PHE . 3.6 mp . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 61.55 111.138 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.4 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.929 0.395 . . . . 74.41 110.834 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 36.0 m -54.25 -33.89 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 61.22 111.13 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -70.69 -60.38 4.66 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.728 -0.749 . . . . 42.01 112.495 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -54.3 -43.69 71.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.86 0.362 . . . . 71.23 110.851 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -52.25 -51.67 57.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 74.51 110.885 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.93 -33.19 75.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 74.12 110.903 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -60.46 3.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 51.44 110.923 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -65.13 -27.42 68.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 73.41 110.87 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.483 HG21 HD11 ' A' ' 49' ' ' LEU . 2.2 m -61.7 -52.49 64.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 73.4 111.115 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 10.3 mmt -60.38 -43.55 96.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 73.12 110.866 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 3.9 t -52.37 -53.53 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 75.44 111.125 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.444 HD11 HG21 ' A' ' 120' ' ' VAL . 1.1 mp -68.4 -43.55 77.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 62.15 110.888 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.5 t -53.05 -41.38 41.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 74.55 111.142 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 26.9 m -63.17 -44.6 95.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 65.51 111.14 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -62.22 -40.7 96.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 71.34 110.893 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.89 -55.13 36.68 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.121 -0.49 . . . . 73.53 110.851 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 19.7 mm -53.57 -38.39 33.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 63.34 111.095 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 15.1 t -58.53 -43.72 87.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 74.0 111.13 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.6 m -74.4 -23.04 58.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 72.12 111.133 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.8 t -65.7 -53.44 40.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 72.11 110.85 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 5.3 p -69.92 -24.15 26.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 71.41 111.14 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.79 -55.45 6.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 73.55 110.841 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -66.54 -19.21 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 45.53 111.137 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 60.1 tp . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 75.42 110.931 179.954 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.502 -0.239 . . . . 70.51 112.502 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.21 -35.97 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.842 0.353 . . . . 72.3 111.168 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -62.35 -57.05 12.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 63.44 110.886 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -23.77 67.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 73.22 110.855 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.91 -54.56 12.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.483 . . . . 72.24 110.922 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -61.32 -25.78 67.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 73.14 110.872 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.626 ' O ' HG23 ' A' ' 118' ' ' VAL . 1.3 mm? -75.57 -50.98 13.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 63.21 110.923 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 20.0 t90 -53.83 -48.26 70.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 72.33 110.919 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 31.8 pt -68.48 -26.56 33.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 71.54 111.173 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.507 ' CZ ' HG23 ' A' ' 22' ' ' THR . 11.8 t80 -76.33 -34.38 58.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 75.15 110.862 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 114' ' ' LEU . 46.5 t -76.02 -29.94 20.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 74.33 111.113 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.06 -45.21 70.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 60.2 110.869 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.444 HG21 HD11 ' A' ' 80' ' ' LEU . 7.7 p -67.54 -31.81 54.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 55.34 111.102 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -80.49 -20.93 42.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 63.23 110.883 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 118' ' ' VAL . 3.4 t -83.07 -55.25 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 72.12 111.088 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -59.81 -48.92 79.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 63.13 110.869 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -60.05 -52.82 50.49 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.753 -0.737 . . . . 51.5 112.51 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 21.2 m -55.17 -54.65 40.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.737 0.303 . . . . 63.03 111.148 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.457 HG22 HD12 ' A' ' 130' ' ' LEU . 40.9 mt -57.36 -33.27 43.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 54.43 111.144 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -54.68 -57.51 17.42 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.721 -0.752 . . . . 52.25 112.49 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 16.6 ptp -76.61 -21.63 55.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.841 0.353 . . . . 61.13 110.89 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -77.42 -15.25 59.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 72.44 110.91 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.457 HD12 HG22 ' A' ' 126' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 72.14 110.94 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.517 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 3.8 tt0 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.625 0.726 . . . . 62.54 110.904 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.9 Cg_endo -69.78 -22.93 31.3 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.7 2.267 . . . . 74.44 112.32 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.506 HD13 ' O ' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -71.73 -38.89 70.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 71.51 110.897 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.12 -26.92 60.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 74.31 110.897 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -60.9 -60.97 2.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 71.24 110.923 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.727 ' O ' HD12 ' A' ' 15' ' ' ILE . 4.6 t -52.83 -39.78 62.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 70.51 111.17 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.3 mt -63.44 -41.37 92.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 62.24 111.159 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -69.6 -13.97 62.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 74.34 110.857 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -88.95 -24.95 22.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 74.32 110.88 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.727 HD12 ' O ' ' A' ' 11' ' ' THR . 1.4 mp -78.79 -32.13 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 62.14 111.139 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.535 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 2.6 mt -51.73 -57.52 14.36 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.62 0.724 . . . . 71.44 111.125 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.7 Cg_endo -69.78 -35.0 13.39 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.65 2.234 . . . . 72.43 112.353 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.7 t -53.2 -57.99 8.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 75.25 110.941 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.8 t -72.98 -43.14 59.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 74.14 111.123 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.2 tt -52.16 -56.41 14.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 51.43 110.91 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.41 HG12 HG13 ' A' ' 45' ' ' VAL . 8.3 mt -51.86 -50.77 31.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 72.41 111.119 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.534 HG23 ' CZ ' ' A' ' 117' ' ' PHE . 80.7 m -53.33 -55.26 26.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 75.12 111.175 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.1 -49.69 63.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 72.32 110.858 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.424 HD22 HD21 ' A' ' 41' ' ' LEU . 3.1 mt -54.84 -36.96 65.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 72.2 110.895 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.96 -25.94 60.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 63.15 111.117 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.428 ' HA ' HD11 ' A' ' 114' ' ' LEU . 94.1 mt -78.06 -53.92 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 75.4 111.113 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.2 mp -53.86 -47.46 70.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 63.44 110.915 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.629 HG21 ' HG ' ' A' ' 41' ' ' LEU . 14.7 t -57.9 -50.48 77.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 74.41 111.132 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.677 ' CD2' HD21 ' A' ' 114' ' ' LEU . 0.1 OUTLIER -57.18 -40.39 77.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 75.0 110.875 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -76.03 -10.52 59.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.157 -0.474 . . . . 74.22 110.936 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 mp -139.46 72.04 37.76 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.598 0.713 . . . . 75.41 110.945 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 130.24 19.06 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.73 2.286 . . . . 65.43 112.349 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.95 179.03 4.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 75.22 110.87 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -126.51 19.01 7.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 73.22 110.854 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.1 m -107.6 -12.9 15.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 63.13 110.882 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 111.92 11.1 17.19 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.742 -0.742 . . . . 63.11 112.485 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.22 -33.95 59.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.924 0.392 . . . . 45.11 110.871 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.6 mmmt -56.34 -56.31 22.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 75.42 110.894 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.2 ttt -56.56 -47.85 78.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 74.21 110.888 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 63.0 m -54.85 -28.28 48.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 73.54 111.111 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.629 ' HG ' HG21 ' A' ' 28' ' ' VAL . 0.3 OUTLIER -73.42 -40.88 63.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 44.35 110.944 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 36.8 t -60.3 -45.2 94.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 74.33 110.873 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 3.6 mt -72.84 -26.31 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 74.1 111.129 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.3 t -72.2 -55.23 7.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 51.24 110.835 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.41 HG13 HG12 ' A' ' 21' ' ' ILE . 5.9 t -56.98 -36.41 50.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 72.43 111.102 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.2 tt -69.97 -37.55 75.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 64.53 110.938 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.22 -53.05 56.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 73.5 110.92 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.07 -46.07 82.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 62.23 111.078 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.529 HD21 HG21 ' A' ' 77' ' ' THR . 0.3 OUTLIER -59.92 -28.22 67.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 72.12 110.9 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.5 m -69.66 -45.66 67.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 45.4 111.142 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 57.9 t -52.49 -57.84 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 74.55 111.139 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.66 ' O ' HD12 ' A' ' 56' ' ' ILE . 27.9 m-85 -63.11 -37.27 86.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 75.0 110.858 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.0 mt -51.85 -58.97 4.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 74.31 110.9 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.7 mt -55.92 -33.8 65.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 72.33 110.86 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 tt -51.71 -63.61 1.08 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.243 -0.435 . . . . 64.03 110.874 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.66 HD12 ' O ' ' A' ' 52' ' ' PHE . 1.8 mp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 71.53 111.1 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.4 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.902 0.382 . . . . 70.51 110.879 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.594 HG21 HG21 ' A' ' 56' ' ' ILE . 4.4 p -55.81 -32.91 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 73.5 111.072 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -76.53 -42.9 20.93 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.775 -0.726 . . . . 73.44 112.43 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -60.19 -38.83 84.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.85 0.357 . . . . 74.42 110.842 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -72.01 -43.04 65.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.172 -0.467 . . . . 75.14 110.906 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.49 -29.67 69.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 65.44 110.89 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.18 -55.75 22.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 52.43 110.859 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -70.88 -25.49 62.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 73.44 110.849 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.529 HG21 HD21 ' A' ' 49' ' ' LEU . 2.6 m -72.91 -48.48 36.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 75.31 111.143 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.83 -38.9 89.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 73.02 110.872 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 15.2 t -57.92 -57.27 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 75.02 111.121 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.47 -46.92 88.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 74.21 110.89 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.6 t -51.95 -47.38 41.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 72.12 111.107 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.5 m -56.33 -50.43 71.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 63.11 111.153 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.26 -33.99 77.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 72.34 110.927 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.39 -51.66 62.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 73.01 110.843 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 10.1 mm -52.65 -42.89 42.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.475 . . . . 75.32 111.128 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 25.3 t -55.5 -45.1 78.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 72.14 111.097 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.67 ' O ' HG23 ' A' ' 91' ' ' VAL . 0.2 OUTLIER -72.81 -25.65 61.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 75.42 111.117 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.45 -41.99 92.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 73.22 110.867 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 27.4 t -71.82 -40.91 69.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 72.41 111.074 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 7.9 t -57.98 -35.15 70.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 71.41 110.879 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 87' ' ' THR . 85.3 t -73.57 -42.52 55.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 74.42 111.107 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 64.45 110.877 -179.995 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.497 -0.241 . . . . 75.34 112.497 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.17 -35.99 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.857 0.36 . . . . 64.34 111.108 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -54.19 -59.88 4.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 72.34 110.893 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 1.7 mtm-85 -59.86 -24.65 64.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 71.1 110.877 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.12 -60.36 2.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 72.03 110.861 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -58.75 -29.57 66.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 74.11 110.864 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.677 HD21 ' CD2' ' A' ' 29' ' ' PHE . 1.9 mm? -69.24 -51.06 41.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 75.33 110.963 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 56.1 t-105 -52.93 -58.06 8.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 75.25 110.974 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 25.9 pt -58.14 -25.69 27.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 73.12 111.128 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.534 ' CZ ' HG23 ' A' ' 22' ' ' THR . 9.8 t80 -78.39 -32.26 48.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 72.12 110.86 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 114' ' ' LEU . 64.5 t -72.77 -30.58 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 64.31 111.146 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -72.34 -54.31 9.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.478 . . . . 71.31 110.891 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 4.5 p -55.16 -31.76 26.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 75.33 111.118 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -73.26 -34.21 65.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 74.24 110.866 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 118' ' ' VAL . 29.9 t -69.26 -46.94 76.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 65.12 111.088 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -74.74 -41.51 59.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 61.24 110.866 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -59.77 -51.1 61.03 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.792 -0.718 . . . . 73.43 112.47 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 94.7 m -61.96 -44.84 95.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.794 0.33 . . . . 54.51 111.168 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.425 HG22 HD12 ' A' ' 130' ' ' LEU . 52.7 mt -59.79 -32.61 50.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 62.24 111.154 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -64.06 -55.7 22.6 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.752 -0.737 . . . . 54.1 112.48 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 24.1 ptp -72.98 -20.51 61.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.77 0.319 . . . . 74.31 110.886 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -81.45 -19.27 42.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 70.21 110.894 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.425 HD12 HG22 ' A' ' 126' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.121 -0.49 . . . . 62.11 110.921 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.523 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 4.5 tt0 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.67 0.748 . . . . 75.11 110.908 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.9 Cg_endo -69.78 -38.93 7.08 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.695 2.263 . . . . 64.34 112.328 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.05 -15.51 62.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 75.12 110.935 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -63.25 -26.73 68.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 72.34 110.864 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -76.49 -59.31 2.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 62.33 110.944 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.8 t -51.85 -41.6 61.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.5 . . . . 62.02 111.169 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.4 mm -61.0 -44.51 98.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 62.32 111.13 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -66.64 -13.96 61.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 54.21 110.882 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.97 -23.72 22.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.481 . . . . 63.42 110.89 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.574 HG21 ' CD1' ' A' ' 129' ' ' PHE . 47.5 mm -78.5 -33.09 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 72.21 111.101 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.539 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 1.1 mt -51.87 -57.45 14.81 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.607 0.718 . . . . 73.11 111.135 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.539 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.6 Cg_endo -69.74 -33.21 17.12 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.706 2.271 . . . . 75.42 112.344 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.8 t -54.13 -58.45 7.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 51.52 110.896 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.7 ' CG1' HG21 ' A' ' 125' ' ' THR . 26.8 m -72.45 -34.79 49.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 72.02 111.122 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.444 ' O ' HD23 ' A' ' 24' ' ' LEU . 16.0 tp -58.32 -47.19 84.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 62.23 110.917 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.65 HG21 HG23 ' A' ' 45' ' ' VAL . 49.9 mt -73.76 -52.36 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 74.21 111.126 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.506 HG22 HD11 ' A' ' 26' ' ' ILE . 39.4 m -52.74 -56.11 17.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 74.2 111.165 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.3 t -52.18 -40.77 61.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 64.2 110.895 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.444 HD23 ' O ' ' A' ' 20' ' ' LEU . 0.9 OUTLIER -60.31 -38.08 82.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 63.21 110.892 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.01 -30.64 61.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 60.13 111.13 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.506 HD11 HG22 ' A' ' 22' ' ' THR . 42.2 mt -76.67 -40.69 33.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 62.41 111.108 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -69.42 -24.66 63.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 64.44 110.917 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.5 t -76.55 -44.88 34.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 61.01 111.136 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.41 -40.55 94.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 73.33 110.877 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -81.27 -50.07 9.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.174 -0.466 . . . . 71.14 110.939 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.71 70.44 9.48 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.643 0.735 . . . . 45.41 110.904 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 137.88 36.48 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.646 2.23 . . . . 75.12 112.35 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.6 t -106.74 -13.24 15.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 43.53 110.878 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -145.01 -170.14 3.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 75.2 110.908 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -108.74 -23.64 11.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 72.12 110.875 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -107.73 17.43 35.98 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.741 . . . . 61.25 112.496 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.07 -21.08 59.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.938 0.399 . . . . 73.1 110.903 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -69.51 -59.06 3.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 74.32 110.926 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.2 -41.79 76.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 70.22 110.889 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.3 m -58.58 -34.61 71.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 71.04 111.088 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.4 HD21 ' HB3' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -68.1 -48.54 65.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 70.13 110.919 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.526 ' O ' HD12 ' A' ' 46' ' ' LEU . 0.5 OUTLIER -55.68 -34.36 64.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 53.14 110.888 179.908 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 14.6 mt -78.14 -34.83 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 75.05 111.132 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.0 t -70.97 -45.74 63.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 71.3 110.845 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.65 HG23 HG21 ' A' ' 21' ' ' ILE . 11.2 p -65.53 -30.79 51.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 44.45 111.173 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.526 HD12 ' O ' ' A' ' 42' ' ' CYS . 2.8 mt -73.18 -33.43 65.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 72.43 110.937 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.5 tt -68.89 -56.11 8.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 63.21 110.874 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.71 -49.38 76.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 34.3 111.125 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.466 HD22 HG21 ' A' ' 81' ' ' VAL . 32.2 tp -60.32 -37.22 79.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 54.32 110.925 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.7 m -61.58 -39.63 91.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 74.4 111.145 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 50.5 t -57.94 -60.54 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 72.31 111.123 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.547 ' O ' HD12 ' A' ' 56' ' ' ILE . 1.3 m-85 -61.48 -45.34 94.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 72.15 110.881 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.43 -41.85 73.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 70.14 110.873 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.1 tt -61.05 -35.87 78.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 54.24 110.929 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.92 -61.92 2.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 71.22 110.894 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.547 HD12 ' O ' ' A' ' 52' ' ' PHE . 3.5 mp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 63.44 111.089 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.963 0.411 . . . . 42.4 110.865 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.405 HG21 HG23 ' A' ' 56' ' ' ILE . 33.9 m -75.69 -27.79 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 41.51 111.15 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -63.06 -29.13 73.42 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.692 -0.766 . . . . 70.4 112.476 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.59 -62.43 1.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.901 0.381 . . . . 75.01 110.931 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -67.11 -25.48 66.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 73.34 110.915 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.7 tp -69.23 -45.0 70.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.475 . . . . 63.23 110.968 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 45.0 ttp -57.63 -51.51 69.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 75.33 110.876 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -63.1 -25.31 68.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 71.32 110.907 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.7 m -76.9 -50.92 12.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 74.44 111.127 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.5 ttm -58.46 -37.47 75.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 74.34 110.888 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 4.3 t -61.52 -62.08 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 60.51 111.139 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.86 -49.48 76.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 54.31 110.945 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.466 HG21 HD22 ' A' ' 49' ' ' LEU . 4.9 t -55.88 -45.56 79.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 64.44 111.085 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.58 ' O ' HG23 ' A' ' 86' ' ' VAL . 2.9 m -56.89 -37.6 71.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 73.24 111.138 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -65.51 -44.28 87.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 72.34 110.915 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.96 -48.86 69.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.5 . . . . 44.41 110.891 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 8.8 mm -57.39 -40.69 75.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 72.22 111.171 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 82' ' ' THR . 17.5 t -56.2 -42.24 72.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.492 . . . . 75.44 111.131 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -38.23 81.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 72.21 111.169 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.7 t -56.34 -57.37 12.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 74.21 110.895 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 83.2 t -63.18 -26.58 41.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 74.41 111.12 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.26 -30.78 70.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 64.15 110.916 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 91.2 t -82.66 -32.45 10.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 70.52 111.109 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.1 tp . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 73.44 110.911 179.963 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.511 -0.236 . . . . 20.45 112.511 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.24 -35.99 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.827 0.346 . . . . 74.3 111.115 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -52.99 -44.25 67.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 74.51 110.856 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -51.5 69.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 74.22 110.878 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.1 mp -53.5 -34.08 56.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 63.11 110.886 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -72.11 -29.9 64.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 62.44 110.89 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.713 ' O ' HG23 ' A' ' 118' ' ' VAL . 0.1 OUTLIER -71.95 -46.65 56.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.499 . . . . 74.3 110.908 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -53.17 -55.78 21.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 74.03 110.885 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 23.2 pt -60.84 -29.98 46.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 72.33 111.142 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -75.74 -26.65 57.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 65.42 110.859 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 114' ' ' LEU . 94.7 t -81.07 -37.72 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 75.44 111.072 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -67.36 -31.58 71.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 72.04 110.889 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 10.4 p -81.62 -34.07 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 64.55 111.107 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.3 -20.68 40.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 73.12 110.86 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.9 t -83.93 -55.71 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 73.51 111.12 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -57.02 -42.2 79.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 65.32 110.861 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -70.07 -58.44 6.16 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 64.22 112.486 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.7 HG21 ' CG1' ' A' ' 19' ' ' VAL . 99.7 m -57.28 -60.25 3.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.743 0.306 . . . . 71.33 111.1 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 40.2 mm -54.53 -26.82 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 73.14 111.132 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -58.12 -60.15 9.49 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.741 . . . . 52.34 112.504 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 10.0 ptt? -81.69 -23.46 36.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.778 0.323 . . . . 71.25 110.892 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.574 ' CD1' HG21 ' A' ' 15' ' ' ILE . 64.2 t80 -72.12 -14.0 61.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 73.43 110.874 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 64.54 110.887 -179.94 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.526 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 3.7 tt0 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.597 0.713 . . . . 73.11 110.924 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.2 Cg_endo -69.74 -26.92 27.18 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.66 2.24 . . . . 63.42 112.346 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.01 -21.9 43.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 64.4 110.946 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -77.26 -30.28 54.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 53.45 110.857 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -65.04 -58.71 5.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 73.23 110.941 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.0 t -52.72 -39.51 62.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 44.14 111.164 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.7 mm -62.19 -43.3 97.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 72.02 111.092 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -68.19 -13.35 62.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 75.11 110.865 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -88.96 -25.2 22.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 72.51 110.908 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.441 ' O ' HG23 ' A' ' 19' ' ' VAL . 47.8 mm -78.97 -31.35 14.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 70.0 111.149 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.545 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 1.6 mt -52.37 -57.49 15.26 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.617 0.722 . . . . 74.33 111.121 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.545 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.8 Cg_endo -69.71 -35.31 13.03 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.677 2.251 . . . . 75.42 112.395 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 39.9 t -55.68 -57.41 12.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 74.13 110.878 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.491 HG22 HG21 ' A' ' 125' ' ' THR . 17.6 t -65.25 -31.66 54.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 61.03 111.116 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.91 -35.34 78.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 74.24 110.919 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.666 HG21 HG23 ' A' ' 45' ' ' VAL . 11.4 mt -64.65 -42.21 94.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 74.24 111.147 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.2 m -59.16 -47.18 86.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 64.15 111.178 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.67 -45.43 66.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 72.32 110.882 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -52.06 -53.33 43.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 74.5 110.903 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.38 -43.94 84.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 72.21 111.111 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.621 HD11 HG22 ' A' ' 118' ' ' VAL . 60.9 mt -60.91 -43.5 95.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 73.44 111.124 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.1 -28.81 69.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 72.31 110.912 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 20.3 t -73.85 -40.03 52.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 75.44 111.15 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -70.47 -37.21 74.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 74.22 110.899 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.4 ' HB3' HD12 ' A' ' 31' ' ' LEU . 5.8 m-85 -80.42 -24.37 39.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 72.43 110.883 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.4 HD12 ' HB3' ' A' ' 30' ' ' TYR . 4.9 mp -142.04 71.91 23.16 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.61 0.719 . . . . 53.42 110.944 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 161.29 46.5 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.723 2.282 . . . . 72.51 112.338 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -120.3 -171.89 2.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 62.54 110.882 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -101.49 -18.79 15.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 74.13 110.873 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.56 -18.41 59.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 64.03 110.885 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 92.84 56.9 1.46 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.7 -0.762 . . . . 74.54 112.514 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -63.1 -19.53 64.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.897 0.379 . . . . 55.32 110.857 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.49 -47.51 83.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 72.13 110.89 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.72 -35.12 62.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 62.14 110.875 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.66 -31.52 72.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.425 . . . . 43.15 111.166 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.725 ' O ' HG12 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -73.03 -46.94 49.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 74.3 110.925 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.8 t -56.24 -38.83 71.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 65.24 110.912 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 18.2 mt -72.12 -33.32 46.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 60.1 111.11 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.9 t -73.29 -60.17 2.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.458 . . . . 73.12 110.839 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.725 HG12 ' O ' ' A' ' 41' ' ' LEU . 3.8 p -52.29 -30.44 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 75.31 111.129 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.6 tt -70.76 -46.69 62.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 74.15 110.902 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.567 ' O ' HG23 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -57.3 -36.92 71.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 75.02 110.9 179.902 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.6 -47.61 84.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 74.23 111.051 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.1 tp -54.23 -46.86 72.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 72.53 110.897 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.53 -35.35 80.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 63.42 111.13 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 47' ' ' LEU . 43.3 t -62.39 -39.67 85.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.43 . . . . 73.21 111.127 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -66.29 -42.74 87.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 72.44 110.885 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.97 -50.63 66.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 75.52 110.925 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.11 -28.63 68.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 75.23 110.941 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.74 -56.07 23.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 61.31 110.888 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.569 HG21 HG11 ' A' ' 70' ' ' VAL . 2.2 mp . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 71.21 111.136 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.887 0.375 . . . . 75.2 110.84 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.569 HG11 HG21 ' A' ' 56' ' ' ILE . 5.4 p -61.71 -19.34 20.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 73.45 111.139 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -57.98 -34.74 73.22 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 74.41 112.46 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -63.76 -65.88 0.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 44.13 110.855 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -57.03 -43.94 82.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 73.32 110.898 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 19.8 tp -56.0 -41.9 75.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 54.42 110.932 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 29.1 ttp -54.23 -48.71 70.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 73.34 110.853 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -72.96 -32.06 64.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 74.32 110.878 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.3 m -62.04 -56.05 22.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 62.0 111.125 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.2 mmt -55.32 -41.71 72.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 70.51 110.913 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 3.6 t -54.29 -61.53 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 74.12 111.102 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.48 -42.52 92.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 62.51 110.9 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.8 t -56.48 -44.1 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 71.41 111.135 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 m -58.12 -43.35 87.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 54.42 111.131 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -65.32 -28.53 69.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 74.44 110.896 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.1 m -73.03 -49.28 29.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 75.31 110.802 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.472 ' O ' HG23 ' A' ' 89' ' ' VAL . 40.8 mm -63.93 -36.69 77.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 74.13 111.101 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 3.6 t -57.9 -54.55 30.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 71.34 111.155 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 91.0 m -66.41 -39.33 88.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 71.03 111.141 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.2 m -58.35 -44.23 88.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 73.44 110.83 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 85' ' ' ILE . 78.3 t -70.23 -29.92 41.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 52.53 111.127 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.58 -30.06 56.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 74.22 110.903 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 52.6 t -80.32 -36.79 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 65.13 111.126 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 34.4 110.94 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.457 -0.257 . . . . 73.55 112.457 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.18 -36.01 16.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.86 0.362 . . . . 72.32 111.162 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -71.52 -58.01 3.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 74.53 110.864 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -52.27 -34.32 45.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 75.24 110.914 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.7 tp -60.63 -59.38 5.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 71.41 110.901 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.01 -24.56 67.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 65.41 110.897 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.404 ' O ' HG23 ' A' ' 118' ' ' VAL . 0.3 OUTLIER -67.92 -44.93 75.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 54.41 110.929 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -79.59 -42.13 25.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 64.25 110.961 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 1.1 tt -56.31 -24.67 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 65.55 111.142 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -81.08 -59.2 2.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 72.1 110.885 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.621 HG22 HD11 ' A' ' 26' ' ' ILE . 37.3 t -52.79 -28.74 13.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 75.4 111.147 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -70.32 -57.08 5.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 74.03 110.875 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 11.1 p -64.45 -25.63 38.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.109 -0.496 . . . . 71.43 111.104 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 62.8 m -79.07 -57.37 3.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 75.23 110.89 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.7 p -59.61 -23.36 25.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 74.05 111.165 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -74.6 -48.5 26.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 74.2 110.886 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -70.97 -40.05 63.14 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.73 . . . . 64.03 112.496 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.491 HG21 HG22 ' A' ' 19' ' ' VAL . 31.7 p -65.67 -60.0 3.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.817 0.341 . . . . 74.41 111.141 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 26.7 mm -57.98 -24.79 24.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 64.42 111.16 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -61.84 -58.04 14.73 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.702 -0.761 . . . . 64.21 112.506 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 8.3 ptp -81.75 -25.11 35.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.791 0.329 . . . . 54.44 110.824 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -71.35 -51.32 24.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 64.15 110.926 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 72.54 110.902 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.527 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 5.3 tt0 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.647 0.737 . . . . 74.31 110.888 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.6 Cg_endo -69.79 -34.36 14.64 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.706 2.271 . . . . 64.32 112.34 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.78 -20.71 66.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 72.33 110.888 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -83.0 -32.71 26.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 75.4 110.882 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.19 -50.44 63.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 63.21 110.932 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.8 t -51.89 -41.66 62.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 72.43 111.181 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 80.6 mt -61.76 -41.44 90.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 64.21 111.098 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -70.38 -11.15 60.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 71.51 110.83 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.89 -27.77 20.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 72.32 110.939 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.5 mm -79.29 -30.48 14.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 71.23 111.142 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.533 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 1.4 mm -51.81 -57.45 14.73 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.609 0.718 . . . . 71.41 111.138 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 54.0 Cg_endo -69.78 -38.23 8.03 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.688 2.258 . . . . 74.05 112.368 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -52.02 -56.84 11.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 72.14 110.915 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.686 HG22 HG21 ' A' ' 125' ' ' THR . 61.4 t -65.97 -46.31 88.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 63.51 111.113 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -52.44 -43.64 65.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 64.41 110.909 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.533 HD11 ' HB1' ' A' ' 48' ' ' ALA . 9.6 mt -56.77 -48.39 81.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 73.21 111.173 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.679 HG21 ' HB2' ' A' ' 121' ' ' CYS . 0.6 OUTLIER -67.97 -55.5 12.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.193 -0.458 . . . . 61.14 111.153 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.72 -37.19 58.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 70.35 110.907 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.8 mt -64.33 -39.38 93.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.092 -0.504 . . . . 64.14 110.958 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.7 -32.38 60.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 62.14 111.139 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.603 HD13 HG22 ' A' ' 118' ' ' VAL . 55.1 mt -74.15 -48.94 35.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 75.33 111.107 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.4 mp -53.94 -51.74 62.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.183 -0.462 . . . . 65.24 110.907 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.442 HG21 HD23 ' A' ' 41' ' ' LEU . 5.2 t -53.06 -51.51 37.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 65.41 111.152 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.525 ' CG ' HD11 ' A' ' 114' ' ' LEU . 1.6 m-85 -62.97 -20.68 65.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 74.13 110.906 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -85.93 -32.97 21.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 72.12 110.92 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.0 mp -128.41 68.81 78.01 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.579 0.704 . . . . 55.34 110.921 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 120.86 7.58 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.666 2.244 . . . . 72.22 112.386 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.19 175.11 5.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 72.43 110.862 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -100.09 19.07 17.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.11 -0.496 . . . . 65.24 110.896 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.1 t -100.48 -9.8 21.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 63.35 110.879 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 92.41 44.29 4.06 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.701 -0.761 . . . . 71.42 112.493 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -68.25 -21.52 64.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.898 0.38 . . . . 60.13 110.865 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.79 -45.76 91.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 54.11 110.887 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 7.5 ttt -73.67 -43.06 60.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 72.34 110.862 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 74.5 m -56.3 -41.44 75.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.256 -0.429 . . . . 73.0 111.18 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.503 ' O ' HD13 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -65.44 -39.65 92.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 61.54 110.955 179.93 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 42.6 t -53.04 -46.04 68.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 65.32 110.862 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 12.9 mm -69.11 -33.2 57.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 74.33 111.105 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.49 -56.37 16.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 73.34 110.885 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.2 t -53.3 -40.37 39.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 60.03 111.107 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.0 tt -58.44 -41.6 85.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 72.53 110.883 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.5 -43.02 79.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 75.2 110.911 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.533 ' HB1' HD11 ' A' ' 21' ' ' ILE . . . -55.88 -45.16 78.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 64.23 111.127 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -54.24 -43.31 70.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 64.33 110.876 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.11 -42.44 94.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 73.44 111.148 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 71.4 t -56.14 -46.29 81.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 74.41 111.108 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.641 ' O ' HD12 ' A' ' 56' ' ' ILE . 15.6 m-85 -54.98 -39.87 69.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 74.24 110.921 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.98 -55.67 28.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 54.45 110.952 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 18.0 mt -57.74 -34.49 69.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 74.43 110.948 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.01 -62.5 1.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 74.24 110.89 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.641 HD12 ' O ' ' A' ' 52' ' ' PHE . 4.0 mp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 72.0 111.155 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.926 0.393 . . . . 75.22 110.873 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.3 p -58.3 -25.28 26.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 71.03 111.117 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -79.51 -35.61 28.71 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.743 -0.741 . . . . 64.34 112.459 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.76 -60.39 3.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.84 0.353 . . . . 71.34 110.884 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -61.53 -48.85 79.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 73.44 110.942 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.7 tp -52.39 -35.93 52.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 50.03 110.925 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -60.08 4.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 73.11 110.885 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.17 -23.82 65.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 74.0 110.855 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.452 ' O ' HG23 ' A' ' 81' ' ' VAL . 58.2 m -71.54 -53.89 12.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 72.45 111.16 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.1 mmt -61.48 -32.8 72.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 73.43 110.877 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 5.1 t -62.7 -57.54 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 61.42 111.136 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -65.21 -33.21 75.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 54.11 110.929 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 77' ' ' THR . 6.6 t -61.96 -39.06 82.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 71.31 111.137 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 55.3 m -66.42 -44.61 82.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.469 . . . . 70.22 111.117 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -24.03 67.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 64.34 110.891 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.05 -43.22 54.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 71.52 110.835 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 22.2 mm -58.57 -37.01 62.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 61.21 111.157 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 49.0 t -65.32 -46.73 89.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 73.35 111.101 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -69.88 -31.27 69.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 61.15 111.112 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.37 -61.47 2.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 54.3 110.883 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 11.7 p -64.51 -30.44 50.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.51 . . . . 62.24 111.156 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.17 -45.67 65.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 73.43 110.882 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.5 t -76.93 -28.28 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 62.44 111.166 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 63.43 110.928 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.487 -0.245 . . . . 63.21 112.487 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.15 -36.08 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.82 0.343 . . . . 62.11 111.121 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -74.32 -41.14 61.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 74.11 110.873 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 1.5 mtt85 -65.2 -36.1 83.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 75.44 110.922 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.07 -44.39 96.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 75.04 110.957 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.568 ' CD1' HD11 ' A' ' 116' ' ' ILE . 55.1 t80 -67.94 -24.74 65.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 71.52 110.887 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.525 HD11 ' CG ' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -74.54 -44.39 51.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 64.13 110.926 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 23.0 t90 -56.12 -44.11 78.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.464 . . . . 63.33 110.929 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.568 HD11 ' CD1' ' A' ' 113' ' ' PHE . 38.6 pt -72.66 -24.89 21.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 73.4 111.094 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.468 ' CD1' HG23 ' A' ' 22' ' ' THR . 0.1 OUTLIER -68.28 -38.16 81.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 75.54 110.902 179.916 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.603 HG22 HD13 ' A' ' 26' ' ' ILE . 67.9 t -71.28 -41.73 74.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 64.52 111.115 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -57.39 -56.0 27.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 64.31 110.82 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 11.4 p -58.71 -32.2 46.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 72.1 111.116 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 0.679 ' HB2' HG21 ' A' ' 22' ' ' THR . 0.5 OUTLIER -71.35 -46.2 61.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 75.45 110.885 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 37.5 t -66.39 -62.31 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 60.21 111.11 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -57.52 -28.94 63.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 65.25 110.872 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -70.29 -57.0 7.12 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.777 -0.725 . . . . 75.24 112.512 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.686 HG21 HG22 ' A' ' 19' ' ' VAL . 41.5 p -54.87 -48.41 72.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.781 0.324 . . . . 75.1 111.118 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 94.1 mt -66.12 -28.57 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 71.42 111.167 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -72.03 -46.09 38.0 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 41.23 112.531 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 23.4 ptp -75.54 -24.01 56.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.799 0.333 . . . . 74.12 110.87 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -83.8 -34.41 24.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 65.23 110.922 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.494 . . . . 74.5 110.949 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.521 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 1.9 tt0 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 121.619 0.723 . . . . 71.34 110.9 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.4 Cg_endo -69.79 -20.53 34.59 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.726 2.284 . . . . 74.42 112.339 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.28 -17.46 62.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 74.11 110.933 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.472 ' HA ' HD12 ' A' ' 12' ' ' ILE . 1.1 m-85 -78.56 -25.5 45.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 62.24 110.936 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -66.7 -57.18 7.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 75.33 110.924 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.729 ' O ' HD12 ' A' ' 15' ' ' ILE . 4.1 t -53.13 -39.65 63.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.498 . . . . 74.14 111.104 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.472 HD12 ' HA ' ' A' ' 9' ' ' PHE . 61.6 mt -60.05 -45.68 95.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 62.22 111.144 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -67.16 -14.79 63.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 74.1 110.888 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.28 -23.54 23.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 63.11 110.966 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.729 HD12 ' O ' ' A' ' 11' ' ' THR . 1.3 mp -79.21 -32.26 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 75.21 111.113 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.543 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 2.3 mt -51.98 -57.46 14.91 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.613 0.721 . . . . 52.4 111.143 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.543 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.9 Cg_endo -69.76 -34.68 14.1 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.698 2.265 . . . . 52.12 112.336 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -53.84 -56.86 13.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 73.21 110.869 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.6 t -62.47 -42.01 94.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 63.43 111.153 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.83 -45.7 85.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 62.51 110.921 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 5.1 mt -52.7 -50.63 40.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 71.3 111.11 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.1 m -55.28 -45.47 76.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 75.02 111.109 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.2 p -54.59 -41.84 70.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 71.0 110.846 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.5 mt -53.43 -56.47 16.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 65.11 110.874 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.05 -41.21 67.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 70.41 111.13 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 51.1 mt -65.58 -36.06 76.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 61.24 111.138 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -44.45 92.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 74.11 110.906 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 31.2 t -60.23 -36.98 71.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 73.44 111.128 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.414 ' CD2' HD11 ' A' ' 114' ' ' LEU . 4.5 m-85 -74.9 -18.13 60.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 74.41 110.888 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -96.04 -21.34 18.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 63.51 110.901 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.6 mp -130.13 72.98 81.75 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.552 0.692 . . . . 75.12 110.871 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 142.34 47.7 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.684 2.256 . . . . 75.43 112.328 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.43 162.69 37.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 65.22 110.886 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.6 p30 -98.48 45.32 1.01 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 72.44 110.879 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.23 0.62 21.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 74.11 110.868 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.4 24.64 58.6 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.732 -0.747 . . . . 75.2 112.486 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.99 -35.34 78.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.855 0.36 . . . . 74.33 110.878 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.21 -51.06 65.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 61.0 110.916 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.8 mtt -67.12 -42.39 84.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 73.12 110.881 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 55.1 m -59.4 -38.75 81.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 65.44 111.155 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.38 -47.91 84.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 75.14 110.947 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.6 t -58.67 -32.73 69.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 74.11 110.871 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 51.3 mt -75.37 -30.91 23.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 74.32 111.113 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.53 -55.2 7.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 62.11 110.889 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.2 p -61.48 -25.35 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 72.3 111.128 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.5 HD23 ' N ' ' A' ' 47' ' ' LEU . 2.3 tt -75.02 -53.78 8.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 75.11 110.92 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.5 ' N ' HD23 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -52.1 -51.39 58.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 74.24 110.927 179.9 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.13 -42.45 69.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 64.02 111.096 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.63 -47.84 75.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 74.14 110.929 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.7 m -69.52 -29.91 67.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 75.22 111.133 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 23.6 t -68.63 -32.96 57.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 73.13 111.098 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.666 ' O ' HD12 ' A' ' 56' ' ' ILE . 10.0 m-85 -69.62 -49.38 54.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 75.33 110.917 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.59 -59.25 4.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 63.44 110.923 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.7 tp -52.56 -37.74 58.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 70.03 110.921 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.88 -65.99 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 73.52 110.921 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.666 HD12 ' O ' ' A' ' 52' ' ' PHE . 1.9 mp . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 64.31 111.104 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.926 0.393 . . . . 72.3 110.848 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.9 p -54.05 -30.96 20.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 62.53 111.164 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -79.65 -42.72 11.02 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.768 -0.729 . . . . 61.41 112.459 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -55.24 -55.96 25.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.842 0.353 . . . . 71.22 110.88 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -64.25 -32.44 74.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 71.43 110.882 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 38.5 tp -65.94 -45.85 80.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 75.33 110.932 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.89 -45.64 71.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 74.32 110.93 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -65.97 -33.24 75.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 73.51 110.879 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 51.7 m -74.0 -29.43 61.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 70.44 111.166 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 5.5 mmt -65.77 -55.01 19.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 71.42 110.858 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 22.3 m -62.17 -27.48 42.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 74.35 111.137 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.21 -57.53 3.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 41.31 110.894 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -61.41 -21.0 24.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 74.22 111.126 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.0 m -69.59 -51.82 31.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 72.35 111.115 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -59.06 -37.01 76.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 62.41 110.866 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.8 t -60.48 -45.96 91.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 71.21 110.868 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.7 mm -57.34 -48.45 82.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 63.43 111.15 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 53.9 t -56.31 -39.81 62.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 73.35 111.123 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.473 ' O ' HG23 ' A' ' 91' ' ' VAL . 0.9 OUTLIER -70.63 -27.52 64.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 53.32 111.113 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.4 m -66.08 -43.74 86.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 71.54 110.851 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 93.8 t -78.45 -40.11 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 74.12 111.122 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 34.9 t -54.86 -40.45 69.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 41.03 110.882 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 87' ' ' THR . 74.3 t -71.19 -43.35 75.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 61.54 111.129 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.7 mm? . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 72.1 110.936 179.965 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.485 -0.246 . . . . 72.3 112.485 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.2 -35.99 16.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.853 0.359 . . . . 75.03 111.139 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -61.84 -55.06 33.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 60.41 110.907 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.49 -30.67 61.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 62.41 110.838 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.1 mt -65.8 -46.12 79.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 73.24 110.85 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.0 -24.59 66.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 71.24 110.884 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.414 HD11 ' CD2' ' A' ' 29' ' ' PHE . 1.3 mp -68.23 -43.64 77.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 74.21 110.909 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 7.1 t-105 -80.13 -42.23 23.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 63.45 110.954 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 1.1 tt -56.3 -24.81 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 74.0 111.147 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.09 -59.12 2.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 75.14 110.914 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 65.5 t -53.27 -28.28 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 64.24 111.116 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -70.34 -59.43 2.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 72.14 110.878 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 11.3 p -62.75 -23.06 31.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 74.11 111.14 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -79.55 -51.72 8.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 73.42 110.866 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 25.4 t -61.27 -43.24 96.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 72.55 111.173 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -60.44 -61.86 2.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 64.43 110.873 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -55.44 -46.74 79.57 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 43.2 112.469 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 39.7 m -58.62 -60.85 3.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.764 0.316 . . . . 71.32 111.129 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 23.2 mt -52.74 -33.22 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 72.23 111.108 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -57.41 -60.56 8.79 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.716 -0.754 . . . . 34.24 112.532 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 23.3 ptp -73.71 -23.23 59.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.78 0.324 . . . . 34.23 110.855 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -73.02 -14.33 61.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 73.32 110.905 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 61.54 110.948 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.534 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 3.1 tt0 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.619 0.723 . . . . 71.22 110.858 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.3 Cg_endo -69.77 -35.79 11.97 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.707 2.272 . . . . 72.51 112.317 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.37 -16.3 63.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 74.33 110.955 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -58.24 -23.1 54.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 64.24 110.879 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -73.15 -60.82 2.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 71.2 110.935 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.737 ' O ' HD12 ' A' ' 15' ' ' ILE . 5.3 t -59.89 -38.34 81.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.074 -0.512 . . . . 71.21 111.13 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.6 mm -64.57 -45.77 94.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 65.21 111.149 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -67.89 -13.08 61.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 74.41 110.872 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.95 -24.85 22.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 73.23 110.938 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.737 HD12 ' O ' ' A' ' 11' ' ' THR . 1.4 mp -78.95 -32.14 15.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 73.24 111.109 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.547 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 2.2 mt -51.95 -57.5 14.71 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.608 0.718 . . . . 74.32 111.098 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.547 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.8 Cg_endo -69.71 -36.2 11.38 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.671 2.247 . . . . 71.44 112.369 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -52.58 -54.71 29.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 64.33 110.88 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 15' ' ' ILE . 26.9 m -76.78 -35.04 23.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 64.42 111.095 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.41 ' HB3' ' HA ' ' A' ' 17' ' ' PRO . 49.9 tp -58.44 -44.5 89.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 73.21 110.93 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.707 ' CG2' HG22 ' A' ' 45' ' ' VAL . 13.2 mt -67.02 -42.55 88.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 74.52 111.14 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.617 HG22 HD11 ' A' ' 26' ' ' ILE . 25.5 m -52.35 -54.82 26.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 64.15 111.099 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.1 p -52.71 -42.87 65.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 52.04 110.867 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -61.48 -35.94 79.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 61.14 110.93 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.14 -29.9 54.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 74.01 111.104 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.617 HD11 HG22 ' A' ' 22' ' ' THR . 45.8 mt -76.73 -43.63 33.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 74.13 111.102 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 86.8 mt -65.12 -32.08 73.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 55.45 110.956 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.677 HG21 HD23 ' A' ' 41' ' ' LEU . 5.4 t -68.89 -50.16 56.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 65.21 111.088 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.542 ' HB3' HD11 ' A' ' 114' ' ' LEU . 6.3 m-85 -65.22 -20.64 66.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 73.51 110.87 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -77.68 -45.01 26.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.131 -0.486 . . . . 71.33 110.948 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 mp -89.95 160.71 40.15 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.608 0.718 . . . . 62.21 110.919 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 150.55 68.25 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.695 2.263 . . . . 42.2 112.352 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.2 t -79.51 152.44 30.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 61.14 110.884 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.54 -74.29 0.61 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.153 -0.476 . . . . 75.22 110.903 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.7 t -109.11 -11.61 14.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.224 -0.444 . . . . 71.51 110.873 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 134.41 38.4 0.2 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 64.41 112.514 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.79 -28.07 46.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.934 0.397 . . . . 64.03 110.922 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -65.62 -40.87 93.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 63.35 110.907 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.92 -42.32 70.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 71.41 110.917 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 69.9 p -60.57 -29.87 69.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 72.04 111.104 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.677 HD23 HG21 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -72.22 -41.37 66.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 74.43 110.896 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.9 t -53.84 -48.61 69.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 73.22 110.874 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 44.6 pt -71.66 -25.61 24.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 74.23 111.105 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.9 m -71.99 -54.55 9.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 64.34 110.878 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.707 HG22 ' CG2' ' A' ' 21' ' ' ILE . 27.5 t -51.67 -44.83 36.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 54.52 111.133 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 35.7 tp -67.52 -29.15 68.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.122 -0.49 . . . . 75.35 110.935 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.4 tp -55.66 -60.9 2.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 71.34 110.931 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.53 -43.52 72.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 60.4 111.045 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.635 HD21 ' CG2' ' A' ' 77' ' ' THR . 0.1 OUTLIER -54.51 -28.83 47.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 74.14 110.941 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.3 m -82.22 -34.34 28.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 74.32 111.16 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 91.5 t -51.84 -58.92 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 73.24 111.127 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.611 ' O ' HD12 ' A' ' 56' ' ' ILE . 34.1 m-85 -68.72 -41.79 78.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 70.32 110.886 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 41.4 tp -51.74 -37.33 50.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 62.23 110.895 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.1 tp -81.92 -32.74 30.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 73.11 110.959 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.454 ' O ' HD22 ' A' ' 55' ' ' LEU . 1.9 tm? -51.72 -52.33 49.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 54.54 110.95 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.611 HD12 ' O ' ' A' ' 52' ' ' PHE . 4.5 mp . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 71.13 111.123 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.951 0.405 . . . . 63.43 110.882 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.2 p -56.12 -25.52 19.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.499 . . . . 71.4 111.128 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -76.34 -38.41 33.84 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.718 -0.753 . . . . 72.41 112.526 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -54.51 -55.57 27.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.847 0.356 . . . . 73.43 110.888 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -59.44 -47.79 84.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.487 . . . . 74.23 110.953 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.26 -31.29 63.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.09 -0.505 . . . . 63.14 110.913 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 1.8 tpp -63.36 -45.93 88.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 72.11 110.879 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -77.76 -36.95 50.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 72.33 110.831 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.635 ' CG2' HD21 ' A' ' 49' ' ' LEU . 59.9 m -64.74 -37.66 88.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 75.24 111.102 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.0 mmt -66.63 -49.88 64.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.273 -0.422 . . . . 73.14 110.891 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 17.6 t -53.48 -41.31 44.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 62.55 111.123 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.5 tp -74.61 -49.22 22.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 70.21 110.938 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 77' ' ' THR . 15.5 t -52.6 -49.03 46.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 72.1 111.158 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.2 m -54.65 -57.04 13.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 61.35 111.136 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.19 -26.03 62.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 74.41 110.88 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.4 t -71.76 -34.34 69.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 72.45 110.842 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 32.2 mm -69.73 -41.21 79.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.476 . . . . 75.23 111.12 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 74.8 t -63.95 -44.48 97.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 65.22 111.137 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.504 HG21 ' CE1' ' A' ' 113' ' ' PHE . 29.0 p -72.05 -29.6 64.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 75.04 111.151 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.41 -55.68 31.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 63.14 110.861 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 32.1 m -74.34 -22.76 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 64.32 111.105 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 35.2 t -60.82 -42.79 98.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 73.45 110.842 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.7 t -76.97 -43.76 32.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 42.12 111.135 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.1 tp . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 63.11 110.907 179.974 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.518 -0.233 . . . . 75.53 112.518 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.435 HG23 ' N ' ' A' ' 110' ' ' ASP . 3.5 tp -50.88 -48.22 28.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.82 0.343 . . . . 53.53 111.104 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.436 ' O ' HD13 ' A' ' 114' ' ' LEU . 30.7 t70 -70.5 -21.0 62.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 51.32 110.886 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 5.1 mmt180 -75.31 -44.73 43.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 71.03 110.904 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -76.66 -41.69 44.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 70.33 110.912 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.504 ' CE1' HG21 ' A' ' 87' ' ' THR . 8.0 t80 -56.47 -38.3 71.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 71.52 110.867 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.657 ' O ' HG23 ' A' ' 118' ' ' VAL . 0.5 OUTLIER -68.09 -45.08 74.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 62.42 110.95 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -59.29 -50.95 72.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 72.21 110.885 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 33.0 pt -64.5 -23.04 32.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 72.34 111.098 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -74.48 -41.87 59.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 73.41 110.874 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 114' ' ' LEU . 8.5 t -69.88 -23.45 25.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 64.21 111.103 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -73.14 -57.05 4.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 62.32 110.904 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 2.7 p -53.73 -32.18 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 62.04 111.125 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 87.4 m -78.16 -54.17 6.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 74.14 110.873 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 11.5 t -54.0 -46.17 65.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 70.21 111.124 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -56.83 -50.12 73.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 72.22 110.874 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -64.55 -55.79 20.94 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.77 -0.729 . . . . 62.12 112.48 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.448 HG21 ' CG1' ' A' ' 19' ' ' VAL . 10.7 p -56.14 -63.05 1.31 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.794 0.331 . . . . 70.13 111.146 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.615 HG22 HD12 ' A' ' 130' ' ' LEU . 48.4 mm -55.73 -33.73 34.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 72.21 111.122 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -55.85 -53.01 44.93 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.756 -0.735 . . . . 63.55 112.43 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' MET . . . . . 0.519 ' HG3' HD11 ' A' ' 15' ' ' ILE . 24.6 ptp -79.84 -29.55 40.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.8 0.333 . . . . 72.41 110.896 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.499 ' CD1' HG21 ' A' ' 15' ' ' ILE . 40.6 t80 -68.85 -14.61 63.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 71.05 110.874 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.615 HD12 HG22 ' A' ' 126' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 53.44 110.901 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.519 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 5.3 tt0 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.657 0.741 . . . . 72.41 110.895 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.7 Cg_endo -69.76 -24.53 29.55 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.679 2.252 . . . . 63.21 112.374 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.5 -25.81 68.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.175 -0.466 . . . . 73.11 110.918 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -68.45 -25.68 65.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 71.03 110.891 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -69.48 -60.75 2.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.504 . . . . 62.11 110.907 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.724 ' O ' HD12 ' A' ' 15' ' ' ILE . 4.2 t -52.71 -40.48 63.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 75.21 111.118 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.5 mt -57.66 -46.79 86.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 72.14 111.105 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.45 -14.6 63.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 74.35 110.868 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.404 HD11 HD11 ' A' ' 56' ' ' ILE . 0.3 OUTLIER -88.96 -23.49 22.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 72.34 110.936 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.724 HD12 ' O ' ' A' ' 11' ' ' THR . 1.2 mp -78.28 -33.35 17.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 75.12 111.175 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.53 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 1.2 mm -51.84 -57.5 14.57 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.596 0.713 . . . . 74.43 111.115 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.7 Cg_endo -69.73 -32.28 19.02 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.703 2.268 . . . . 60.03 112.346 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.1 t -52.29 -58.84 5.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 72.44 110.886 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.402 HG11 HG21 ' A' ' 125' ' ' THR . 29.2 m -66.54 -31.82 55.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 73.23 111.103 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.9 mt -63.76 -43.49 96.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 63.45 110.914 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 9.5 mt -61.49 -44.65 98.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 74.25 111.135 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -59.69 -49.06 79.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 73.01 111.129 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -34.61 58.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 53.05 110.86 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.657 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -61.66 -47.3 85.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 72.12 110.885 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.17 -35.55 81.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 44.13 111.119 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 22.6 mt -70.82 -45.49 73.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 61.13 111.149 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 35.9 mt -61.5 -27.55 68.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 63.13 110.877 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 24' ' ' LEU . 75.7 t -73.7 -46.58 47.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 74.44 111.096 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.629 ' HB2' HD21 ' A' ' 114' ' ' LEU . 21.3 m-85 -59.23 -33.34 70.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 75.44 110.898 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -80.74 -25.98 37.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.097 -0.501 . . . . 74.13 110.908 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.26 71.87 18.03 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.577 0.703 . . . . 64.41 110.947 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 119.31 6.28 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.67 2.247 . . . . 75.11 112.353 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 68.2 m -153.05 142.55 21.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 64.4 110.819 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.6 t0 63.13 167.68 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 71.24 110.877 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -101.14 -21.84 14.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 71.52 110.883 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.11 10.99 69.75 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 53.05 112.532 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -83.37 -44.96 14.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.934 0.397 . . . . 73.23 110.911 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.73 -32.22 59.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 55.22 110.861 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.564 ' O ' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -70.15 -58.9 3.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 70.12 110.907 179.874 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.99 -25.05 64.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 64.53 111.123 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.418 HD22 HG21 ' A' ' 28' ' ' VAL . 10.4 tp -64.45 -55.84 18.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.281 -0.418 . . . . 53.23 110.89 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.8 t -53.14 -41.85 65.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 72.21 110.881 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.564 HD12 ' O ' ' A' ' 39' ' ' MET . 3.6 mt -70.46 -42.58 78.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 51.21 111.119 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.48 -60.1 4.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.142 -0.481 . . . . 71.54 110.875 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 24.2 t -52.19 -36.79 21.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.501 . . . . 73.44 111.139 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.3 mt -59.67 -44.95 93.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 71.24 110.887 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.2 tt -59.84 -52.61 64.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 75.54 110.915 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.79 -36.36 72.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 40.31 111.094 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -73.39 -36.12 66.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 44.03 110.897 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 30.9 m -67.93 -37.6 81.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 72.34 111.119 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 23.3 t -63.71 -42.17 95.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 71.13 111.101 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.686 ' O ' HD12 ' A' ' 56' ' ' ILE . 5.4 m-85 -75.13 -38.51 61.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 63.44 110.862 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.3 tt -64.41 -58.43 6.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 70.5 110.883 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 18.8 mt -53.2 -37.55 62.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 62.11 110.956 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.3 tt -54.42 -53.37 54.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 72.32 110.887 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.686 HD12 ' O ' ' A' ' 52' ' ' PHE . 2.2 mp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 63.23 111.152 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.92 0.39 . . . . 75.2 110.894 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 22.1 m -69.3 -30.14 44.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 74.33 111.166 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -67.81 -33.97 81.48 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.711 -0.757 . . . . 75.12 112.514 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -68.96 -63.54 1.04 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.895 0.378 . . . . 74.3 110.933 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -52.85 -42.84 65.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 53.03 110.909 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 58.4 tp -59.74 -35.13 73.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.481 . . . . 71.53 110.934 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -50.47 73.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 73.34 110.925 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -72.8 -22.94 60.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 74.31 110.895 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.9 m -76.73 -42.92 39.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 74.23 111.117 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -38.83 92.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 71.21 110.9 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 3.4 t -61.29 -54.67 31.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 75.43 111.147 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -50.64 69.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 71.31 110.912 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 26.4 t -54.93 -40.46 53.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 75.41 111.116 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.537 ' O ' HG23 ' A' ' 86' ' ' VAL . 1.8 m -61.6 -34.49 75.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 54.32 111.137 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.28 -52.65 64.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 72.2 110.9 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.5 -49.85 63.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 75.01 110.842 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.497 ' O ' HG23 ' A' ' 89' ' ' VAL . 48.0 mm -60.48 -36.53 70.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 74.24 111.103 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 82' ' ' THR . 36.1 t -64.37 -36.07 76.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 74.22 111.122 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 7.3 m -71.76 -38.3 70.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 72.32 111.137 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.9 p -73.47 -36.62 65.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 75.02 110.865 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 85' ' ' ILE . 39.6 t -65.71 -31.03 51.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 71.5 111.116 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.66 -36.3 23.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.166 -0.47 . . . . 55.21 110.878 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.2 t -73.54 -44.13 54.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 61.11 111.093 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.7 tp . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 54.14 110.9 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.456 -0.258 . . . . 34.42 112.456 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.17 -35.98 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.824 0.345 . . . . 71.3 111.152 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -70.52 -49.01 52.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.471 . . . . 35.14 110.862 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.0 -31.18 60.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 75.42 110.807 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.99 -50.94 52.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 65.32 110.928 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.1 -24.56 65.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 72.45 110.878 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.629 HD21 ' HB2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -68.2 -43.03 78.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 71.41 110.947 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 9.3 t90 -80.28 -42.51 22.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.904 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 1.1 tt -56.25 -24.73 18.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.284 -0.416 . . . . 54.02 111.185 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.13 -59.01 2.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 71.51 110.884 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.605 ' O ' HG23 ' A' ' 122' ' ' VAL . 40.2 t -51.72 -29.95 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 71.53 111.175 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -69.8 -58.5 3.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 62.34 110.891 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 13.5 p -63.26 -28.0 44.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 73.53 111.107 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -73.63 -34.65 65.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 53.11 110.915 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 118' ' ' VAL . 5.3 t -64.19 -57.64 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 43.54 111.124 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -67.85 -26.97 66.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 63.42 110.874 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -72.74 -54.07 7.7 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.745 -0.741 . . . . 74.21 112.456 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.402 HG21 HG11 ' A' ' 19' ' ' VAL . 2.3 m -67.11 -59.28 3.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.727 0.299 . . . . 73.53 111.12 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.667 HG22 HD12 ' A' ' 130' ' ' LEU . 96.5 mt -56.05 -32.65 34.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 64.13 111.139 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -56.26 -60.24 9.28 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.773 -0.727 . . . . 62.43 112.443 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 18.4 ptp -74.57 -27.75 60.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.831 0.348 . . . . 74.31 110.87 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -72.14 -14.97 61.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 62.42 110.86 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.667 HD12 HG22 ' A' ' 126' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 54.44 110.909 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.503 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 5.9 tt0 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.63 0.729 . . . . 74.0 110.878 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.9 Cg_endo -69.78 -22.72 31.58 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.681 2.254 . . . . 75.41 112.375 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.497 ' O ' HD13 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -71.51 -38.49 71.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 70.23 110.914 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -82.18 -22.16 36.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 71.41 110.851 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -71.32 -53.39 14.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 72.35 110.915 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.6 t -52.09 -40.58 61.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 54.41 111.162 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 69.6 mt -66.38 -34.41 69.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 74.11 111.14 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -74.18 -14.23 60.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 72.52 110.896 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -88.94 -27.05 21.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 64.44 110.895 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.458 ' O ' HG22 ' A' ' 19' ' ' VAL . 49.0 mm -79.35 -30.42 13.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 74.54 111.152 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.536 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 1.4 mm -52.13 -57.44 15.17 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.63 0.728 . . . . 74.41 111.144 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.2 Cg_endo -69.84 -37.73 8.59 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.644 2.229 . . . . 63.41 112.348 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -52.47 -58.87 5.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 74.1 110.88 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 15' ' ' ILE . 32.7 m -68.14 -23.06 28.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 74.31 111.146 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.3 mt -68.64 -56.36 8.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 73.13 110.879 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 32.0 mm -53.65 -46.91 61.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 73.13 111.128 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 91.7 m -52.72 -51.82 58.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 74.34 111.127 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 p -53.59 -38.7 64.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 61.31 110.894 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.487 ' O ' HD23 ' A' ' 24' ' ' LEU . 2.7 tt -55.03 -43.54 73.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.102 -0.499 . . . . 62.34 110.913 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.405 ' HA ' HD11 ' A' ' 41' ' ' LEU . . . -67.11 -30.72 70.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 62.25 111.126 179.777 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.552 HD13 HG22 ' A' ' 118' ' ' VAL . 96.3 mt -75.01 -42.24 45.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 72.04 111.131 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.05 -32.84 70.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 54.41 110.939 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 49.6 t -75.34 -50.96 22.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 74.13 111.128 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -61.11 -28.8 69.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 74.21 110.864 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -81.96 -45.31 15.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 52.45 110.933 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.4 mp -124.41 70.38 54.44 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.58 0.705 . . . . 72.12 110.869 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 119.11 6.11 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.714 2.276 . . . . 61.35 112.307 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.77 -19.66 15.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 61.33 110.891 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -130.15 176.02 8.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.118 -0.492 . . . . 71.13 110.882 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 61.9 m -110.69 -19.78 12.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 75.44 110.888 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -106.77 -1.96 36.88 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.765 -0.731 . . . . 70.23 112.498 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -65.01 -32.24 73.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.904 0.383 . . . . 74.35 110.884 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.07 -55.19 33.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 72.21 110.886 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.99 -49.8 70.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 74.23 110.864 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 16.8 m -56.35 -31.06 63.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 73.21 111.129 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.405 HD11 ' HA ' ' A' ' 25' ' ' ALA . 2.7 tt -70.7 -44.09 67.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 72.11 110.878 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -52.04 -41.34 62.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.226 -0.443 . . . . 72.35 110.89 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 25.0 mm -73.45 -27.95 24.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 73.24 111.165 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.65 -59.42 3.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 73.21 110.861 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.7 p -54.78 -32.93 26.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 73.03 111.097 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.7 tp -64.65 -44.0 91.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 71.13 110.925 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.57 -39.47 80.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 60.21 110.874 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.31 -48.48 78.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 25.04 111.081 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.76 -37.21 70.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 63.15 110.945 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.09 -44.88 75.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 72.31 111.151 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.516 HG12 HD12 ' A' ' 55' ' ' LEU . 37.6 t -58.29 -36.68 59.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 72.33 111.116 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.697 ' O ' HD12 ' A' ' 56' ' ' ILE . 19.9 m-85 -66.61 -45.68 78.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 72.31 110.888 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.91 -59.09 4.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 73.21 110.94 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 22.2 tp -60.66 -33.56 73.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 74.4 110.946 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.516 HD12 HG12 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -50.29 -66.23 0.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 70.54 110.931 179.866 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.876 HG21 HG21 ' A' ' 70' ' ' VAL . 2.0 mp . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 70.12 111.115 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.908 0.385 . . . . 42.53 110.887 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.876 HG21 HG21 ' A' ' 56' ' ' ILE . 35.8 m -56.81 -31.49 35.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 73.43 111.121 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.3 -35.49 23.32 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.707 -0.758 . . . . 71.25 112.524 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.71 -48.52 81.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.894 0.378 . . . . 64.11 110.897 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -66.62 -43.48 84.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 75.1 110.924 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.28 -47.95 65.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.116 -0.493 . . . . 64.02 110.908 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 5.0 tmm? -55.67 -48.84 74.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 71.51 110.912 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -67.18 -26.11 66.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 75.33 110.865 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.3 m -72.2 -46.07 57.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 74.22 111.109 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -58.88 -36.81 75.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 63.03 110.877 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 39.1 t -63.3 -62.21 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 71.41 111.158 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.99 -44.87 83.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 62.43 110.95 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 5.8 t -54.23 -47.31 68.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 75.22 111.133 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 23.8 m -53.74 -44.89 70.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 55.32 111.184 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -61.45 -35.65 78.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 73.04 110.853 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.5 t -61.94 -37.86 86.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 64.33 110.851 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 25.7 mm -65.59 -47.4 86.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 60.3 111.15 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 76.5 t -55.28 -37.26 43.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 54.1 111.135 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.451 ' O ' HG23 ' A' ' 91' ' ' VAL . 54.2 m -72.64 -24.82 61.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 52.14 111.149 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.6 m -63.68 -59.27 4.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 61.4 110.897 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 41.8 t -65.12 -40.41 88.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 72.52 111.129 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 8.5 m -55.27 -50.33 69.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 73.15 110.891 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 87' ' ' THR . 38.2 t -58.06 -40.02 75.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 53.14 111.127 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.7 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 63.42 110.9 179.983 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.466 -0.253 . . . . 53.12 112.466 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.17 -35.99 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.818 0.342 . . . . 74.41 111.12 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.2 -47.36 77.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 72.32 110.865 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.53 -31.94 73.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 74.32 110.876 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.61 -56.21 13.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 73.4 110.908 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -59.06 -31.89 69.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 62.25 110.883 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -72.25 -49.42 35.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 64.42 110.928 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -54.54 -48.09 72.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 75.23 110.915 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 47.6 pt -66.95 -23.59 31.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 52.4 111.124 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.98 -41.11 87.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 71.53 110.837 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.552 HG22 HD13 ' A' ' 26' ' ' ILE . 22.3 t -69.66 -36.17 69.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 63.44 111.103 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -58.86 -58.83 6.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 62.22 110.903 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.9 p -59.4 -31.79 47.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 74.44 111.153 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.99 -49.22 62.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 74.24 110.87 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.7 t -66.61 -56.4 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 73.24 111.133 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -55.17 -52.32 63.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 75.4 110.896 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -57.45 -52.95 48.65 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.726 -0.75 . . . . 74.34 112.492 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.6 m -56.55 -46.73 80.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.756 0.312 . . . . 52.01 111.107 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 38.3 mt -62.45 -32.25 54.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 74.01 111.099 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -61.83 -53.37 43.76 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.759 -0.734 . . . . 64.31 112.451 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 21.9 ptp -74.79 -31.07 61.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.837 0.351 . . . . 54.43 110.877 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -67.62 -18.71 65.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 75.41 110.888 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.506 . . . . 74.03 110.946 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.531 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 3.4 tt0 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.623 0.725 . . . . 73.53 110.908 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.3 Cg_endo -69.77 -22.27 32.26 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.714 2.276 . . . . 70.23 112.343 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.85 -45.54 70.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 62.42 110.886 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.27 -22.63 61.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 73.41 110.865 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -74.58 -58.05 3.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 71.22 110.895 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.0 t -52.06 -41.02 62.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 72.32 111.122 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 18.0 mm -62.65 -38.59 81.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 73.2 111.112 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.15 -16.06 63.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 61.34 110.874 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.8 -23.68 22.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 75.41 110.908 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.456 HG23 HG23 ' A' ' 125' ' ' THR . 46.8 mm -78.75 -32.32 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 65.3 111.129 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.541 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 1.6 mt -52.34 -57.53 15.1 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.662 0.744 . . . . 74.03 111.148 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.9 Cg_endo -69.75 -33.49 16.5 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.665 2.243 . . . . 71.55 112.374 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 44.5 t -53.73 -58.46 7.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 71.11 110.888 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.8 t -65.33 -41.87 92.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.214 -0.448 . . . . 71.11 111.171 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.3 mt -56.23 -43.61 78.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 63.33 110.886 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.448 HG21 HG23 ' A' ' 45' ' ' VAL . 7.3 mt -59.52 -48.0 88.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 71.44 111.12 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.7 m -56.4 -47.85 78.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.135 -0.484 . . . . 54.1 111.163 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.06 -38.96 62.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 41.45 110.882 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.06 -48.14 79.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.119 -0.491 . . . . 64.44 110.886 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.3 -34.21 76.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 44.14 111.14 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 55.3 mt -73.13 -43.81 57.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 74.4 111.113 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.3 mt -60.91 -31.43 70.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 62.53 110.867 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 42.1 t -71.84 -37.28 61.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 74.23 111.152 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -65.86 -41.14 92.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 74.31 110.895 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -78.18 -34.47 49.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 74.13 110.928 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -130.05 72.04 82.03 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.592 0.711 . . . . 63.44 110.866 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 100.48 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.7 2.267 . . . . 74.42 112.334 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.89 119.44 37.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 63.14 110.844 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 61.08 174.08 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 74.1 110.878 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.0 m -104.55 -14.11 15.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 64.45 110.865 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -82.67 -10.06 83.79 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.765 -0.731 . . . . 51.21 112.486 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.56 -26.2 41.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.908 0.385 . . . . 65.11 110.896 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -68.17 -58.92 3.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.477 . . . . 70.02 110.872 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.03 -43.72 86.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 71.22 110.892 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 6.5 m -61.14 -39.02 88.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 40.2 111.11 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 tp -62.93 -50.13 72.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 63.31 110.926 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.4 t -54.51 -37.12 64.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 55.5 110.915 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 43.7 mt -75.16 -30.46 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 71.52 111.119 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.82 -54.28 12.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 64.01 110.867 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.448 HG23 HG21 ' A' ' 21' ' ' ILE . 7.2 p -61.98 -32.76 55.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 62.03 111.155 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.7 tt -68.86 -50.26 51.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 65.22 110.965 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 17.8 tp -58.69 -39.55 81.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 73.52 110.881 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.58 -54.68 33.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 71.21 111.071 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.596 HD11 ' CG2' ' A' ' 77' ' ' THR . 0.2 OUTLIER -55.19 -34.97 64.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 63.33 110.898 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.4 m -70.62 -38.68 73.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 62.45 111.106 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.2 t -58.92 -44.33 90.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 55.42 111.098 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.657 ' O ' HD12 ' A' ' 56' ' ' ILE . 17.9 m-85 -63.33 -42.71 98.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 71.02 110.927 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.66 -59.28 4.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 72.25 110.929 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.75 -37.47 59.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 74.12 110.914 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 tt -49.76 -66.23 0.43 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 64.13 110.919 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.848 HG21 HG21 ' A' ' 70' ' ' VAL . 1.8 mp . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 75.03 111.101 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.915 0.388 . . . . 72.12 110.824 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.848 HG21 HG21 ' A' ' 56' ' ' ILE . 34.8 m -57.44 -30.24 35.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 72.23 111.107 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -79.77 -32.97 35.25 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.699 -0.763 . . . . 71.31 112.487 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.86 -54.62 32.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.881 0.372 . . . . 74.42 110.944 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -65.36 -34.63 78.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 74.34 110.891 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.8 tp -63.82 -42.15 97.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.482 . . . . 62.51 110.857 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 44.6 ttm -57.5 -47.49 81.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 63.13 110.859 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -73.46 -25.05 60.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 73.15 110.886 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.596 ' CG2' HD11 ' A' ' 49' ' ' LEU . 2.9 m -71.89 -50.55 28.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.116 -0.493 . . . . 62.1 111.105 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -57.01 -43.1 81.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 54.14 110.899 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.9 t -54.13 -62.86 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 64.04 111.144 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.94 -38.23 78.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 65.45 110.92 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.504 HG21 ' HG ' ' A' ' 49' ' ' LEU . 5.3 t -57.97 -55.54 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 60.34 111.086 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.2 m -52.65 -31.7 38.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 73.03 111.159 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -70.7 -44.55 66.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 74.44 110.865 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.28 -30.09 66.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 74.2 110.868 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 43.0 mm -76.08 -40.22 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 75.0 111.143 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 28.0 t -53.64 -50.29 51.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 72.05 111.124 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.7 p -66.06 -37.12 85.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 72.21 111.132 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.57 -48.19 69.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 75.51 110.868 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 51.9 t -70.68 -31.64 46.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 73.12 111.146 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.24 -44.9 78.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 73.43 110.913 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.4 p -79.06 -19.15 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 64.24 111.108 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.7 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 72.21 110.898 -179.981 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.496 -0.241 . . . . 25.23 112.496 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.16 -36.02 16.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.774 0.321 . . . . 61.13 111.101 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -69.87 -53.18 19.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 63.21 110.872 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -28.72 65.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 63.53 110.87 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.26 -54.56 23.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 73.21 110.912 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -54.38 -27.44 36.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 63.34 110.888 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.8 mp -67.93 -42.59 80.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 71.54 110.938 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 32.8 t-105 -79.86 -42.32 24.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 71.4 110.902 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -56.15 -24.96 18.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 75.14 111.068 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.15 -63.57 1.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 64.05 110.872 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 52.6 t -54.48 -27.28 17.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 71.14 111.173 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -69.48 -57.08 5.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 74.13 110.906 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 14.3 p -66.87 -27.06 38.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 73.54 111.168 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 68.6 m -76.33 -53.44 8.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 73.34 110.847 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 10.5 t -55.02 -39.34 49.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 65.22 111.132 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -65.81 -59.07 4.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 74.21 110.876 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -56.38 -50.75 60.54 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 74.2 112.475 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.456 HG23 HG23 ' A' ' 15' ' ' ILE . 97.6 m -57.97 -62.66 1.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.773 0.32 . . . . 60.02 111.145 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 17.1 mm -53.87 -28.46 16.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 73.31 111.101 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -56.36 -56.72 22.95 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.718 -0.753 . . . . 72.33 112.511 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 2.3 ptt? -83.1 -22.54 33.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.791 0.329 . . . . 73.14 110.839 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -76.9 -16.33 59.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 65.54 110.859 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 71.31 110.885 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.506 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 4.8 tt0 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.62 0.724 . . . . 64.45 110.818 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.7 Cg_endo -69.74 -26.24 27.85 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.708 2.272 . . . . 74.32 112.32 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.698 HD23 HD11 ' A' ' 12' ' ' ILE . 0.3 OUTLIER -69.7 -15.17 63.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 75.33 110.926 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -61.99 -20.01 63.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 73.01 110.927 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.52 ' HE2' HD23 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -75.41 -61.02 2.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 65.4 110.895 -179.866 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.1 t -52.32 -37.26 55.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 50.51 111.147 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.698 HD11 HD23 ' A' ' 8' ' ' LEU . 84.7 mt -64.08 -40.99 91.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 71.52 111.123 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -71.3 -11.83 61.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 63.32 110.909 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.04 -27.81 20.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 70.21 110.892 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.9 mm -79.32 -30.4 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 72.5 111.086 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.541 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 1.4 mm -51.8 -57.51 14.49 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.598 0.714 . . . . 63.11 111.089 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.8 Cg_endo -69.73 -38.29 8.08 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.673 2.248 . . . . 74.14 112.34 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.7 t -52.1 -58.86 5.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 52.34 110.889 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.803 HG22 HG21 ' A' ' 125' ' ' THR . 24.7 t -61.78 -46.15 97.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 74.11 111.114 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.83 -42.99 69.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 74.42 110.942 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.771 HG23 HG22 ' A' ' 45' ' ' VAL . 4.5 mt -54.88 -48.93 73.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 63.3 111.101 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.43 HG23 ' CD2' ' A' ' 117' ' ' PHE . 41.8 m -54.4 -55.02 32.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 71.04 111.094 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.24 -40.69 61.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 63.55 110.865 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.9 -37.5 66.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 73.24 110.911 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.0 -24.97 60.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 75.42 111.133 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.72 HG23 HD11 ' A' ' 114' ' ' LEU . 77.7 mt -84.06 -58.62 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 75.41 111.097 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.17 -29.85 34.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.474 . . . . 62.03 110.863 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.477 HG21 ' HB2' ' A' ' 41' ' ' LEU . 8.4 t -80.18 -43.27 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 72.41 111.102 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -71.4 -16.96 62.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 73.31 110.885 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -90.56 -28.01 18.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 64.32 110.911 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.3 73.36 67.08 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.556 0.693 . . . . 64.13 110.918 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 81.1 0.84 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.641 2.227 . . . . 63.44 112.354 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.1 m -74.3 165.1 25.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 75.21 110.897 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.67 9.88 28.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 75.45 110.851 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 97.2 m -87.98 5.75 39.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 63.05 110.91 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 77.7 27.1 59.53 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.743 -0.742 . . . . 73.15 112.5 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.462 ' HG2' HG22 ' A' ' 28' ' ' VAL . 3.7 tt0 -62.82 -26.35 68.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.938 0.399 . . . . 73.32 110.895 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm -62.68 -54.38 40.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 72.15 110.896 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 20.8 mtt -56.81 -44.9 82.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 75.12 110.859 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 42.0 m -56.63 -41.34 76.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 73.41 111.158 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.477 ' HB2' HG21 ' A' ' 28' ' ' VAL . 1.6 tm? -56.11 -58.09 9.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 74.3 110.907 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.402 ' N ' HD13 ' A' ' 41' ' ' LEU . 1.6 t -53.64 -34.64 59.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 53.44 110.878 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 31.4 mt -72.6 -31.81 38.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 75.34 111.154 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 t -68.48 -51.23 45.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.468 . . . . 73.03 110.852 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.771 HG22 HG23 ' A' ' 21' ' ' ILE . 5.9 t -57.29 -39.53 68.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 71.54 111.155 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.8 tp -67.52 -55.88 11.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.176 -0.465 . . . . 71.31 110.9 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.67 -34.99 60.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 61.32 110.931 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.549 ' HB1' HD11 ' A' ' 21' ' ' ILE . . . -63.75 -37.69 88.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 45.31 111.063 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 32.4 tp -60.22 -50.24 74.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 74.1 110.94 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.3 m -57.77 -40.61 80.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 71.32 111.142 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.5 t -58.91 -39.46 77.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 73.53 111.156 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.664 ' O ' HD12 ' A' ' 56' ' ' ILE . 17.5 m-85 -61.99 -43.06 99.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 63.54 110.852 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.4 mt -51.77 -59.07 4.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 71.54 110.884 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.2 tp -55.84 -33.86 64.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 63.04 110.94 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.52 HD23 ' HE2' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -51.71 -63.64 1.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 75.23 110.899 179.896 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.712 HG21 HG11 ' A' ' 70' ' ' VAL . 2.0 mp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 71.52 111.115 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.893 0.378 . . . . 65.55 110.842 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.712 HG11 HG21 ' A' ' 56' ' ' ILE . 20.5 m -58.76 -33.65 49.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 64.23 111.124 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -74.09 -47.59 18.05 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.776 -0.726 . . . . 53.31 112.482 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -60.8 -39.51 89.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.88 0.371 . . . . 72.43 110.888 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -61.46 -40.83 95.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 71.24 110.898 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.53 -40.04 70.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.131 -0.486 . . . . 74.35 110.89 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 6.9 ttm -54.24 -56.36 19.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 70.21 110.885 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -63.92 -34.87 78.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 64.21 110.881 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 18.0 m -63.81 -39.79 95.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 71.14 111.132 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.5 mmt -70.32 -30.68 67.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 74.02 110.809 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 10.7 t -67.97 -54.02 25.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 71.22 111.097 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.51 -47.74 80.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 73.43 110.904 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.6 t -51.91 -53.03 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 74.24 111.11 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 97.8 m -51.82 -36.73 49.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 74.43 111.146 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -72.28 -38.74 68.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 74.05 110.879 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.35 -39.63 92.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 62.34 110.876 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 15.8 mm -66.29 -43.31 91.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 72.11 111.138 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 3.8 t -52.72 -43.37 44.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 74.44 111.113 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.62 -29.12 59.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 65.44 111.134 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.84 -56.85 16.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 72.51 110.857 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 14.3 m -69.17 -23.25 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 71.14 111.124 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -67.36 -29.0 68.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 71.44 110.887 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 24.1 t -82.42 -46.16 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 74.42 111.115 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 74.3 110.971 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.479 -0.249 . . . . 70.33 112.479 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.43 HG23 ' N ' ' A' ' 110' ' ' ASP . 3.2 tp -50.43 -48.27 25.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.823 0.344 . . . . 73.41 111.109 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.571 ' O ' HD23 ' A' ' 114' ' ' LEU . 11.8 t70 -66.58 -25.46 66.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 75.21 110.868 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.78 -48.68 24.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 75.54 110.917 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.34 -46.22 74.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 65.11 110.927 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -61.04 -27.53 68.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 72.33 110.867 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.72 HD11 HG23 ' A' ' 26' ' ' ILE . 0.5 OUTLIER -67.82 -43.69 79.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 75.54 110.93 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 51.8 t-105 -79.73 -41.67 26.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.175 -0.466 . . . . 74.34 110.894 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -56.27 -25.01 19.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 73.45 111.151 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.43 ' CD2' HG23 ' A' ' 22' ' ' THR . 0.1 OUTLIER -81.13 -60.02 2.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 71.31 110.878 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 97.8 t -51.67 -30.16 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 74.24 111.128 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.56 -57.02 5.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 74.11 110.861 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 11.5 p -65.01 -24.18 34.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 43.3 111.131 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.87 -49.88 16.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 74.23 110.896 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.9 t -53.42 -50.07 50.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 63.03 111.126 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -75.42 -31.36 60.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 75.31 110.86 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -65.62 -58.99 8.18 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.753 . . . . 74.3 112.485 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.803 HG21 HG22 ' A' ' 19' ' ' VAL . 25.7 p -56.36 -45.77 80.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.788 0.327 . . . . 65.1 111.169 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 11.4 mm -52.46 -45.31 45.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 60.13 111.139 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -59.98 -32.06 74.31 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 72.42 112.478 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 35.5 mmm -59.62 -57.71 11.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.78 0.324 . . . . 72.11 110.879 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.51 -14.04 60.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 73.32 110.836 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 1.1 tt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 74.33 110.93 -179.981 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.522 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 5.3 tt0 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 121.651 0.738 . . . . 65.52 110.869 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 54.0 Cg_endo -69.74 -23.12 31.26 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.668 2.245 . . . . 65.22 112.372 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.4 -22.46 51.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 74.31 110.951 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.06 -21.37 50.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 63.13 110.89 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -72.69 -56.9 4.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 51.4 110.929 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.3 t -52.25 -40.91 62.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 73.42 111.138 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 34.5 mt -62.12 -43.98 98.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 74.45 111.145 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -67.39 -13.68 62.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 73.21 110.875 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 mt -88.98 -24.22 22.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 71.23 110.884 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.0 mm -79.71 -30.54 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 71.41 111.113 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.539 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 4.0 mt -53.39 -57.47 16.78 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.654 0.74 . . . . 73.22 111.112 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.539 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.8 Cg_endo -69.78 -35.79 11.94 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.636 2.224 . . . . 55.44 112.346 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.4 t -52.26 -56.14 16.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 71.24 110.874 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 43.8 t -64.17 -47.48 89.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 64.22 111.153 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.8 tp -52.43 -46.34 66.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 72.23 110.915 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.431 HG23 HG22 ' A' ' 45' ' ' VAL . 31.4 mt -52.58 -50.97 38.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 73.13 111.148 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.639 HG23 ' CE2' ' A' ' 117' ' ' PHE . 58.2 m -54.16 -51.65 63.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 63.23 111.166 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.4 -40.43 65.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 50.51 110.847 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.21 -46.45 65.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 50.11 110.907 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.32 -30.01 70.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 73.44 111.063 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 94.7 mt -74.92 -45.76 42.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 74.33 111.133 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.0 mt -56.9 -36.7 70.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 74.12 110.945 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 5.0 t -68.94 -46.8 78.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 74.24 111.181 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -58.95 -30.07 67.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 74.22 110.864 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.542 ' O ' HD22 ' A' ' 31' ' ' LEU . 1.7 m-85 -81.45 -35.83 30.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 72.44 110.963 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.542 HD22 ' O ' ' A' ' 30' ' ' TYR . 3.4 mm? -123.37 72.07 47.69 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.578 0.704 . . . . 72.43 110.89 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 96.49 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.713 2.275 . . . . 74.54 112.32 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.2 164.62 23.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 41.15 110.85 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.07 36.77 2.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 72.04 110.855 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 88.6 m -111.17 18.23 19.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 72.55 110.931 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 72.4 21.14 79.55 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.719 -0.753 . . . . 54.05 112.438 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.56 -21.75 66.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.922 0.392 . . . . 54.51 110.895 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.13 -47.82 80.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 61.51 110.939 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 7.2 mtt -76.55 -39.78 51.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 75.45 110.845 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.1 m -54.52 -38.96 67.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 61.14 111.134 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.75 -44.91 54.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 75.22 110.898 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.91 -43.92 77.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 73.31 110.908 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 54.8 mt -76.13 -29.55 19.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 71.4 111.103 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.13 -55.03 13.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 74.42 110.876 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.431 HG22 HG23 ' A' ' 21' ' ' ILE . 17.3 t -55.92 -43.85 76.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 72.24 111.152 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.3 mt -57.64 -34.67 69.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 75.44 110.874 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.5 tp -63.3 -44.39 95.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 72.42 110.917 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.43 -41.56 69.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 65.32 111.118 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.506 HD21 ' CE ' ' A' ' 78' ' ' MET . 48.0 tp -60.73 -48.08 83.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 74.34 110.954 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -52.93 -44.58 67.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 72.45 111.129 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.1 t -62.6 -40.12 87.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 73.24 111.176 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.652 ' O ' HD12 ' A' ' 56' ' ' ILE . 44.7 t80 -53.19 -55.86 20.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 70.44 110.9 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.65 -59.25 4.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 74.0 110.888 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -52.74 -37.67 59.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 74.41 110.928 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.75 -65.96 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 75.31 110.899 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.652 HD12 ' O ' ' A' ' 52' ' ' PHE . 1.8 mp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 74.45 111.122 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.916 0.389 . . . . 74.13 110.872 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.583 HG21 HG21 ' A' ' 56' ' ' ILE . 21.8 m -61.78 -23.13 30.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 64.34 111.144 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -76.6 -51.46 6.51 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.688 -0.767 . . . . 52.43 112.502 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -55.08 -55.35 32.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.91 0.386 . . . . 73.02 110.913 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -52.74 -45.32 66.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 72.14 110.922 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.7 tp -56.37 -46.08 80.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 51.4 110.904 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.02 -56.44 16.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 75.32 110.859 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -60.37 -29.17 68.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 73.23 110.861 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 47.1 m -74.34 -31.45 62.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 72.53 111.184 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.506 ' CE ' HD21 ' A' ' 49' ' ' LEU . 1.8 mmt -67.3 -59.78 3.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 60.12 110.88 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 30.6 m -56.62 -30.5 32.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 70.21 111.107 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.6 mt -66.18 -53.87 32.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.447 . . . . 73.02 110.896 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.504 HG21 HD22 ' A' ' 49' ' ' LEU . 61.3 t -60.49 -49.3 84.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 72.31 111.123 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.0 m -52.3 -48.94 65.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 60.41 111.122 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.62 -39.18 64.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 73.44 110.858 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.8 t -60.75 -45.03 95.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 65.24 110.874 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 10.9 mm -58.1 -39.31 72.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 64.32 111.196 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 21.3 t -62.3 -36.16 73.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.12 -0.491 . . . . 44.03 111.15 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.78 -27.21 31.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 72.43 111.125 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.81 -43.97 86.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 73.2 110.861 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.8 t -83.5 -40.52 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 71.15 111.146 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 1.9 m -56.58 -29.52 62.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 72.34 110.887 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 41.8 t -86.72 -45.96 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 71.23 111.147 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 74.42 110.961 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.5 -0.24 . . . . 64.42 112.5 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.23 -35.95 16.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.81 0.338 . . . . 61.41 111.121 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -60.2 -53.05 62.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 75.51 110.865 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -65.19 -27.14 68.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 74.53 110.851 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -67.45 -57.43 6.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 71.21 110.91 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -55.31 -31.79 61.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 50.4 110.884 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.621 ' O ' HG23 ' A' ' 118' ' ' VAL . 0.2 OUTLIER -77.8 -47.56 18.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 51.14 110.895 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 36.2 t90 -61.28 -50.46 72.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 70.34 110.942 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 2.1 pp -61.34 -30.78 48.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 72.24 111.151 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.639 ' CE2' HG23 ' A' ' 22' ' ' THR . 14.1 t80 -76.07 -37.58 58.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 75.31 110.878 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 114' ' ' LEU . 72.4 t -68.32 -37.01 77.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 73.44 111.108 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -61.05 -57.48 12.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 75.34 110.867 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.4 p -57.77 -29.04 34.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 73.54 111.16 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -70.15 -41.14 74.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 64.24 110.88 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 33.6 t -77.72 -60.51 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 74.22 111.083 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -56.24 -43.99 79.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 74.22 110.855 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -61.34 -57.01 20.31 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.78 -0.724 . . . . 73.22 112.528 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 6.6 m -59.61 -49.85 76.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.765 0.317 . . . . 73.14 111.155 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 17.6 mm -56.99 -37.7 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 71.53 111.121 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -58.2 -60.25 9.31 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.748 -0.739 . . . . 63.24 112.458 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 19.6 ptp -66.4 -21.52 66.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.825 0.345 . . . . 74.13 110.864 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -82.95 -14.48 54.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 64.03 110.825 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.174 -0.467 . . . . 73.04 110.973 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.527 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 5.3 tt0 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 121.639 0.733 . . . . 64.31 110.854 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.9 Cg_endo -69.71 -34.59 14.45 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.677 2.251 . . . . 71.12 112.33 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.85 -19.13 63.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 62.43 110.917 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -85.59 -25.27 26.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 63.02 110.878 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -68.44 -51.04 48.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 72.1 110.933 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.57 ' O ' HD12 ' A' ' 15' ' ' ILE . 4.9 t -54.25 -39.64 67.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 64.33 111.126 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 90.8 mt -63.95 -44.06 97.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 75.12 111.113 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.58 -12.92 61.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 75.03 110.853 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.3 tt -88.67 -25.14 22.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 72.3 110.955 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.57 HD12 ' O ' ' A' ' 11' ' ' THR . 2.1 mt -79.31 -31.62 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 64.22 111.167 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.546 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 1.1 mm -51.76 -57.49 14.51 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.669 0.747 . . . . 74.45 111.137 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.546 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 54.0 Cg_endo -69.75 -37.39 9.26 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.639 2.226 . . . . 64.44 112.391 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.6 m -52.48 -58.2 7.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 74.43 110.904 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 99.6 t -62.18 -30.85 49.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 63.14 111.141 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.6 tt -64.33 -48.48 75.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 74.25 110.924 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 31.9 mm -52.62 -49.78 43.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 74.43 111.131 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.6 m -53.96 -49.74 68.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 70.15 111.141 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.68 -37.47 68.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 74.11 110.876 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.06 -42.17 76.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 75.23 110.915 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.6 -34.62 76.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 72.42 111.12 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 78.9 mt -72.98 -33.09 42.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 75.53 111.157 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.65 -37.38 73.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 75.31 110.95 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 51.8 t -63.83 -42.9 97.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 73.24 111.081 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -69.33 -26.24 64.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 71.23 110.895 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -89.39 -8.14 53.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 71.11 110.93 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -139.76 70.53 36.98 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.609 0.719 . . . . 72.5 110.937 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 92.96 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.682 2.255 . . . . 73.44 112.361 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 m -124.45 126.72 46.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 34.14 110.867 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 62.45 171.98 0.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 72.24 110.874 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -102.64 -23.9 13.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 53.44 110.902 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -74.77 -14.38 81.48 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 64.14 112.492 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -69.65 -39.89 76.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.895 0.379 . . . . 71.21 110.884 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.24 -51.18 70.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 74.12 110.875 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.5 mtt -59.79 -30.17 68.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 64.24 110.886 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.5 m -70.53 -33.73 71.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 63.54 111.186 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.494 ' O ' HG12 ' A' ' 45' ' ' VAL . 24.4 tp -62.79 -52.71 62.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 70.42 110.933 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 37.1 t -55.95 -40.49 73.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 53.51 110.848 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 78.5 mt -73.63 -23.81 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 73.23 111.149 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.4 t -76.56 -62.81 1.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 74.45 110.81 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.494 HG12 ' O ' ' A' ' 41' ' ' LEU . 3.1 p -53.25 -31.14 17.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 54.1 111.118 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 32.5 tp -72.92 -45.06 60.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 73.32 110.896 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 29.3 tp -54.59 -43.34 72.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 64.53 110.842 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.67 -41.38 99.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 74.31 111.104 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.643 HD12 HG21 ' A' ' 81' ' ' VAL . 0.6 OUTLIER -55.75 -57.52 11.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 74.31 110.918 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.5 p -59.27 -37.79 78.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.13 -0.486 . . . . 61.43 111.11 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.7 t -59.37 -48.62 86.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 60.53 111.16 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.669 ' O ' HD12 ' A' ' 56' ' ' ILE . 15.6 m-85 -53.16 -47.76 68.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 72.41 110.907 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.74 -59.12 4.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 74.14 110.928 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.86 -37.99 60.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 71.21 110.915 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.63 -65.7 0.52 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 53.43 110.932 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.956 HG21 HG21 ' A' ' 70' ' ' VAL . 1.9 mp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 73.31 111.157 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.892 0.377 . . . . 52.21 110.836 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.956 HG21 HG21 ' A' ' 56' ' ' ILE . 34.1 m -64.76 -31.52 54.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 64.11 111.15 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -73.75 -43.45 35.43 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.756 -0.735 . . . . 64.34 112.488 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -58.67 -54.08 51.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.87 0.367 . . . . 75.13 110.901 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -52.62 -47.32 67.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.12 -0.491 . . . . 72.22 110.931 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.86 -37.73 71.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.107 -0.497 . . . . 64.43 110.885 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -56.64 -48.43 77.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 71.43 110.87 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.53 -32.16 70.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 72.32 110.866 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 16.0 m -71.81 -36.12 70.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 54.25 111.167 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.1 mmt -57.55 -58.92 6.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 73.13 110.874 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 7.0 p -59.06 -36.57 63.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 44.32 111.099 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.59 -50.36 69.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 70.23 110.936 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.643 HG21 HD12 ' A' ' 49' ' ' LEU . 42.8 t -60.58 -41.76 89.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 71.13 111.125 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.2 m -55.22 -39.03 69.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 52.11 111.154 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.97 -42.02 97.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 75.33 110.943 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.62 -40.71 97.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 62.01 110.865 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 9.2 mm -56.74 -44.33 81.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 74.42 111.121 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 65.4 t -58.88 -43.77 89.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 73.42 111.154 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 27.3 m -69.89 -33.25 71.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 73.5 111.197 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.61 -44.43 77.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 63.11 110.881 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 14.3 t -75.52 -30.79 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 74.44 111.094 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.62 -42.17 98.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 71.11 110.883 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.6 t -78.87 -35.21 17.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.475 . . . . 62.24 111.097 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.4 tp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 62.53 110.937 179.955 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.516 -0.234 . . . . 60.22 112.516 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.2 -35.94 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.833 0.349 . . . . 63.35 111.18 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -57.98 -46.63 84.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 65.15 110.834 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -63.26 -32.64 74.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 75.23 110.863 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.3 mt -67.85 -43.02 80.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 73.42 110.924 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -66.68 -39.27 88.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 65.14 110.874 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.39 -44.07 75.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 75.43 110.921 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 5.8 t90 -57.02 -57.35 12.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 72.42 110.921 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 42.7 pt -56.71 -26.18 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.421 . . . . 74.25 111.14 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -79.51 -34.47 41.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 71.11 110.889 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.47 ' O ' HG23 ' A' ' 122' ' ' VAL . 34.2 t -75.18 -38.22 41.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 72.32 111.135 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -64.87 -47.8 76.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 71.0 110.861 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 13.7 p -66.77 -28.82 44.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 74.53 111.162 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 44.2 t -72.74 -32.21 65.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 73.42 110.88 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.478 HG12 HD12 ' A' ' 126' ' ' ILE . 74.4 t -81.09 -61.07 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 74.23 111.088 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -60.64 -27.56 67.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 74.21 110.868 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -71.04 -53.34 10.93 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.76 -0.733 . . . . 54.52 112.455 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 28.5 m -64.0 -39.55 94.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.717 0.294 . . . . 73.31 111.133 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.478 HD12 HG12 ' A' ' 122' ' ' VAL . 70.0 mt -68.06 -24.8 30.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 72.31 111.147 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -70.95 -46.39 45.1 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.718 -0.753 . . . . 30.33 112.511 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 19.9 ptp -78.9 -22.13 46.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.735 0.302 . . . . 75.32 110.844 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -82.51 -44.73 15.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 74.41 110.859 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 73.41 110.946 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.773 0.32 . . . . 70.3 110.9 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -112.89 138.27 49.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 71.32 111.105 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 -112.88 30.87 6.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 73.04 110.868 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 57.46 27.12 13.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 71.11 110.908 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.528 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.5 tt0 -53.08 -58.41 12.48 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.694 0.759 . . . . 74.33 110.922 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.1 Cg_endo -69.83 -28.47 24.87 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.656 2.238 . . . . 74.41 112.324 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.476 HD23 ' CG1' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -75.6 -15.32 60.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.447 . . . . 72.23 110.854 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -60.53 -27.81 67.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 72.02 110.886 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -74.92 -60.6 2.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 63.1 110.898 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.695 ' O ' HD12 ' A' ' 15' ' ' ILE . 4.0 t -52.65 -40.91 63.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 72.23 111.105 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.476 ' CG1' HD23 ' A' ' 8' ' ' LEU . 11.6 mm -64.35 -44.34 97.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 62.43 111.119 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -68.87 -12.58 61.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 74.32 110.905 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.0 tt -88.96 -25.62 21.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.119 -0.491 . . . . 60.24 110.917 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.695 HD12 ' O ' ' A' ' 11' ' ' THR . 1.9 mt -79.26 -31.55 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 63.04 111.136 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.537 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 3.5 mt -51.89 -57.41 14.95 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.625 0.726 . . . . 73.54 111.125 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.6 Cg_endo -69.78 -36.21 11.16 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.699 2.266 . . . . 63.15 112.313 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.5 t -52.0 -57.5 9.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 61.02 110.858 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.498 HG22 HG21 ' A' ' 125' ' ' THR . 23.5 t -62.76 -33.33 59.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 73.33 111.153 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 34.8 mt -64.96 -46.32 82.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 71.0 110.937 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.5 mt -52.83 -47.98 51.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 73.34 111.11 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 71.3 m -53.18 -50.5 64.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 64.52 111.131 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.27 -39.16 66.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 71.54 110.885 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.09 -41.38 71.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 72.04 110.878 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.96 -27.08 64.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 71.34 111.088 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.431 HD11 HG22 ' A' ' 118' ' ' VAL . 97.2 mt -80.51 -35.69 15.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 75.32 111.092 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.49 -36.7 85.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 73.33 110.913 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.9 t -70.88 -47.08 64.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 71.53 111.125 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -61.33 -23.56 65.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 74.42 110.886 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -84.78 -26.18 27.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 74.24 110.932 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 mp -116.07 71.69 4.33 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.666 0.746 . . . . 61.14 110.921 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 81.58 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.717 2.278 . . . . 64.5 112.372 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.8 p -124.1 127.29 47.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 64.1 110.858 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 t70 60.8 -177.19 0.11 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 75.24 110.823 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 18.9 m -111.08 -27.59 8.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 73.25 110.859 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.9 -24.11 62.25 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.744 . . . . 55.41 112.484 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -70.83 -36.7 73.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.893 0.378 . . . . 71.04 110.837 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -75.58 -36.13 60.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 73.43 110.909 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -68.96 -44.55 72.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 33.25 110.895 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 6.2 t -72.01 -24.99 61.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 71.04 111.158 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.466 HD13 ' N ' ' A' ' 42' ' ' CYS . 1.6 tm? -64.77 -61.43 2.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 72.33 110.925 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.466 ' N ' HD13 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -53.26 -48.14 68.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 71.54 110.859 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 58.9 mt -60.0 -35.41 60.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 75.35 111.115 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.0 m -68.37 -57.32 6.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 71.43 110.855 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.5 t -52.91 -34.12 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 72.44 111.133 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.6 tp -65.32 -43.56 90.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 74.13 110.919 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.55 -39.65 88.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 62.15 110.886 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.78 -44.87 86.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 54.12 111.063 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.523 HD22 HG21 ' A' ' 81' ' ' VAL . 26.1 tp -65.14 -51.97 57.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.437 . . . . 72.23 110.882 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.3 m -55.03 -44.75 74.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 71.12 111.127 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.5 t -58.77 -41.56 82.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 62.34 111.109 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.656 ' O ' HD12 ' A' ' 56' ' ' ILE . 9.0 m-85 -60.1 -43.77 95.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 75.23 110.882 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.1 tt -51.73 -59.18 4.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.488 . . . . 75.33 110.892 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.92 -37.41 60.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 71.33 110.899 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.9 -65.9 0.48 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 70.42 110.922 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.656 HD12 ' O ' ' A' ' 52' ' ' PHE . 1.8 mp -71.72 -20.47 20.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 64.43 111.153 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.1 t -48.11 -41.68 27.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 73.02 110.859 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -95.59 -21.73 18.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.123 -0.49 . . . . 75.21 110.886 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 29.0 mm -97.55 67.42 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 55.42 111.133 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.5 t 64.93 75.07 0.37 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.606 0.717 . . . . 55.41 111.13 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 167.74 23.5 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.73 2.287 . . . . 74.35 112.307 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -17.76 37.3 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.663 2.242 . . . . 73.44 112.335 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 19.8 p -100.76 39.87 1.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 55.35 111.127 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 75.2 m -156.97 27.28 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 75.12 110.892 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.9 p -158.48 -177.67 6.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 51.21 110.862 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -103.92 -42.82 5.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 74.43 110.876 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 43.2 m -129.43 68.81 80.79 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.668 0.747 . . . . 72.54 110.829 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 153.79 68.47 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.692 2.261 . . . . 71.12 112.305 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 77.7 p -99.2 -33.22 10.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 72.33 110.884 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.587 ' HB ' HG21 ' A' ' 56' ' ' ILE . 9.1 p -58.01 -32.21 43.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 60.25 111.136 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -68.02 -35.08 83.27 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.766 -0.731 . . . . 41.24 112.47 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -54.66 -61.92 1.99 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.866 0.365 . . . . 70.53 110.926 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -59.37 -30.49 68.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 73.15 110.939 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -41.2 96.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.054 -0.521 . . . . 75.51 110.916 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.85 -56.11 17.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 75.54 110.823 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.93 -36.19 72.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.421 . . . . 71.21 110.902 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.508 ' O ' HG23 ' A' ' 81' ' ' VAL . 2.3 m -71.96 -35.68 69.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 71.41 111.128 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.0 mmt -59.47 -57.0 14.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 61.44 110.907 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 29.2 m -58.16 -31.45 41.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 73.45 111.151 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.37 -46.3 60.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 63.22 110.944 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.523 HG21 HD22 ' A' ' 49' ' ' LEU . 54.0 t -56.26 -46.54 81.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 73.52 111.149 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.6 m -56.14 -44.18 78.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 61.13 111.17 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.84 -40.15 69.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 73.33 110.895 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 32.9 t -64.07 -43.92 93.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 64.32 110.862 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 51.7 mm -57.48 -37.88 60.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 73.41 111.116 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 9.8 t -59.36 -48.44 87.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 70.25 111.123 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 12.2 p -67.29 -39.94 86.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 54.03 111.136 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.94 -47.8 70.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 74.43 110.843 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 93.4 t -73.17 -40.7 58.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.5 . . . . 72.31 111.167 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 1.2 m -53.1 -30.95 39.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 74.53 110.89 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 92.4 t -86.73 -38.83 12.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 74.52 111.065 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.0 tp -53.94 -57.04 12.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 73.42 110.934 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -92.2 152.13 20.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 73.13 110.861 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 10.4 p -111.3 149.71 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 74.11 111.122 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -110.8 108.37 18.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 62.3 110.834 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 5.2 m170 -85.0 102.29 13.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 65.51 110.877 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.56 176.32 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 73.13 110.851 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -162.12 160.54 21.5 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.681 0.753 . . . . 63.11 110.829 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -38.1 8.31 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.643 2.229 . . . . 61.24 112.367 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -119.11 173.05 7.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 71.42 110.861 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.22 129.26 37.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.475 . . . . 73.11 111.184 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 27.3 m-70 -61.35 -172.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 74.32 110.865 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.9 m -123.67 105.36 9.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 72.31 111.112 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 100.3 -163.11 18.95 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.741 . . . . 23.51 112.469 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.8 133.92 0.33 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.74 . . . . 23.01 112.502 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -140.83 46.15 0.93 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 74.31 112.518 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 86.07 13.04 69.75 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.686 -0.769 . . . . 75.31 112.49 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -101.98 6.61 54.25 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.709 -0.758 . . . . 70.13 112.505 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.21 -35.97 16.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.811 0.339 . . . . 72.15 111.136 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -68.09 -52.92 29.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 72.4 110.891 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.7 -26.04 66.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 75.11 110.864 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.96 -49.15 66.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 73.51 110.918 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.01 -24.59 66.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 74.53 110.822 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.87 -44.94 75.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 74.12 110.918 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -79.63 -42.15 25.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 73.34 110.934 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 1.1 tt -56.32 -24.61 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 61.41 111.165 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.405 ' O ' HG12 ' A' ' 120' ' ' VAL . 3.9 t80 -81.11 -59.21 2.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 65.44 110.842 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.518 ' O ' HG23 ' A' ' 122' ' ' VAL . 47.8 t -54.46 -27.05 16.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 62.11 111.123 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.82 -58.78 3.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 74.24 110.889 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.405 HG12 ' O ' ' A' ' 117' ' ' PHE . 8.4 p -59.31 -23.61 25.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 72.0 111.1 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 5.2 m -78.0 -43.31 29.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 75.31 110.906 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 118' ' ' VAL . 24.6 t -58.53 -34.23 50.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 71.43 111.136 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -76.76 -45.69 28.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 61.34 110.87 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -64.55 -52.48 42.78 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 74.4 112.476 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.498 HG21 HG22 ' A' ' 19' ' ' VAL . 70.1 p -56.71 -47.69 79.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.801 0.334 . . . . 61.5 111.176 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 29.4 mt -66.82 -32.79 59.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 62.23 111.109 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -54.38 -50.14 57.64 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.668 -0.777 . . . . 54.24 112.507 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 20.7 ptp -80.03 -20.0 46.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.847 0.356 . . . . 75.12 110.889 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -81.14 -16.26 53.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 73.04 110.86 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -85.21 1.08 49.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 62.52 110.961 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.523 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 3.4 tt0 -52.61 -58.42 11.96 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.606 0.717 . . . . 73.55 110.972 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 131' ' ' GLN . 53.1 Cg_endo -69.84 150.99 68.45 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.647 2.231 . . . . 74.31 112.342 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.454 HD21 ' HA ' ' A' ' 137' ' ' GLU . 2.3 pt? -66.86 -26.36 66.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 61.51 110.942 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -174.77 -178.22 1.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 63.12 110.866 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -71.42 -18.81 62.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 72.04 110.925 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -108.46 63.61 0.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 73.5 110.886 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.454 ' HA ' HD21 ' A' ' 133' ' ' LEU . 1.1 mt-10 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 71.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.849 0.357 . . . . 73.1 110.896 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -113.27 133.08 55.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 75.12 111.077 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -124.77 48.22 2.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 74.13 110.898 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -97.22 -21.23 17.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 75.33 110.905 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.518 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 5.2 tt0 -55.06 -58.42 14.87 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.628 0.728 . . . . 73.23 110.909 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.4 Cg_endo -69.81 -40.14 5.59 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.655 2.237 . . . . 73.04 112.35 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.93 -15.73 63.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 72.43 110.885 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -60.37 -25.12 65.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 74.24 110.852 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -77.73 -60.79 2.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 65.13 110.926 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.9 t -52.38 -40.84 62.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 73.3 111.14 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.2 mm -62.52 -42.34 95.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 74.31 111.124 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -66.52 -15.48 63.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 64.44 110.925 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.534 HD11 HD11 ' A' ' 56' ' ' ILE . 0.2 OUTLIER -88.69 -24.15 22.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 51.4 110.92 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 46.6 mm -78.71 -32.46 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 71.33 111.127 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.545 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 1.6 mm -51.85 -57.51 14.54 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.62 0.724 . . . . 63.03 111.098 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.545 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 54.2 Cg_endo -69.73 -33.48 16.63 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.689 2.259 . . . . 62.24 112.353 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 44.3 t -52.05 -55.76 18.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 72.23 110.922 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.578 ' CG1' HG21 ' A' ' 125' ' ' THR . 18.4 m -74.88 -22.81 17.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 72.13 111.128 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.6 tt -68.24 -46.12 71.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 75.32 110.898 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.461 ' CG2' HG22 ' A' ' 45' ' ' VAL . 5.4 mt -65.72 -43.49 93.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 64.41 111.134 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.3 m -59.9 -48.66 80.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 54.52 111.092 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.665 ' HA ' HD12 ' A' ' 26' ' ' ILE . 1.9 p -56.17 -39.03 71.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 73.15 110.896 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.4 mt -59.54 -45.59 91.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 72.24 110.932 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.02 -29.47 69.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 71.43 111.069 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.665 HD12 ' HA ' ' A' ' 23' ' ' SER . 53.2 mt -72.3 -38.64 62.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 64.21 111.18 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 mt -60.86 -48.16 83.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 65.12 110.903 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 36.6 t -58.55 -38.04 68.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 63.22 111.151 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -73.51 -25.99 60.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 75.12 110.859 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -85.55 -15.82 41.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.195 -0.457 . . . . 73.33 110.963 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.2 mp -111.56 160.66 28.64 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.608 0.718 . . . . 74.12 110.946 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 97.15 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.739 2.293 . . . . 71.04 112.344 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.44 94.97 1.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 52.14 110.864 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -130.75 21.55 5.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 61.24 110.913 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.35 -20.24 57.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 52.01 110.887 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 140.05 -10.25 3.06 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.76 -0.733 . . . . 61.33 112.502 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.94 -30.04 32.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.855 0.36 . . . . 52.4 110.863 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.26 -54.73 41.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 74.31 110.94 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.6 mtm -57.81 -47.51 82.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 42.35 110.897 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 54.6 m -58.27 -27.62 64.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 73.23 111.176 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.5 HD23 HG23 ' A' ' 45' ' ' VAL . 2.7 tt -76.32 -37.69 57.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 44.14 110.911 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -56.61 -42.2 78.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 72.12 110.866 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 98.2 mt -69.6 -40.41 79.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 42.3 111.121 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 54.2 m -60.68 -53.26 59.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 64.23 110.853 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.5 HG23 HD23 ' A' ' 41' ' ' LEU . 11.1 t -53.35 -41.98 46.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 73.43 111.135 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.4 tp -69.25 -37.65 78.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 53.52 110.934 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.16 -51.67 68.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 70.31 110.951 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.09 -36.93 73.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 41.52 111.099 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.2 tp -64.29 -43.41 94.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 73.21 110.926 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.58 -34.93 71.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 72.01 111.134 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 42.3 t -61.51 -61.6 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 65.31 111.137 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.547 ' O ' HD12 ' A' ' 56' ' ' ILE . 1.4 m-85 -62.61 -37.42 86.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 71.24 110.907 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.8 tp -57.51 -52.96 63.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 63.12 110.867 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.8 tp -57.36 -38.12 73.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 62.34 110.935 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.11 -62.33 1.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 73.52 110.917 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.547 HD12 ' O ' ' A' ' 52' ' ' PHE . 1.7 mp -55.6 -34.66 36.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 73.33 111.115 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.58 -48.5 66.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 53.04 110.887 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.74 -21.54 62.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.498 . . . . 72.22 110.885 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.423 ' O ' HG13 ' A' ' 60' ' ' VAL . 13.9 mt 65.94 108.46 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 71.12 111.158 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.423 HG13 ' O ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -157.45 69.26 4.23 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.611 0.72 . . . . 54.34 111.096 179.904 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 167.8 23.43 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.634 2.223 . . . . 54.03 112.36 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -9.09 25.25 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.66 2.24 . . . . 73.32 112.329 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 72.2 p -144.1 109.99 5.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 74.32 111.165 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.5 m -59.67 99.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 72.41 110.866 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.8 p -136.45 -176.78 4.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 74.3 110.861 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -113.6 31.59 6.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.494 . . . . 63.23 110.86 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.0 m -132.35 68.83 80.04 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.722 0.773 . . . . 74.33 110.849 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 133.03 24.52 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.739 2.293 . . . . 73.44 112.299 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.67 -1.18 7.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 74.11 110.844 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.9 m -70.19 -22.54 24.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 64.33 111.142 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -73.64 -32.47 59.37 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.733 -0.746 . . . . 74.11 112.456 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -62.7 -58.8 6.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.877 0.37 . . . . 65.25 110.906 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -60.3 -37.98 82.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 72.22 110.926 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 25.1 tp -62.92 -39.49 94.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.499 . . . . 75.2 110.886 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 7.1 tpp -56.13 -53.41 57.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 75.2 110.893 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.11 -26.38 65.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 73.3 110.873 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.0 m -69.64 -40.62 76.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 41.12 111.11 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -68.96 -30.17 68.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 72.34 110.892 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 5.6 t -70.83 -51.78 33.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 70.31 111.145 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.63 -46.04 84.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 74.32 110.9 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.3 t -59.1 -40.32 80.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 72.05 111.097 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.494 ' O ' HG23 ' A' ' 86' ' ' VAL . 3.4 m -59.52 -40.43 87.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 70.42 111.199 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -63.66 -42.14 98.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 64.02 110.925 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.09 -56.29 23.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 65.53 110.859 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 27.4 mm -52.65 -43.39 43.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 70.41 111.093 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 82' ' ' THR . 42.6 t -54.38 -39.74 45.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 65.24 111.085 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.424 ' O ' HG23 ' A' ' 91' ' ' VAL . 0.2 OUTLIER -74.75 -30.31 61.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 62.34 111.133 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 75.3 m -67.04 -51.0 60.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 61.44 110.895 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 38.4 t -59.87 -36.16 64.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 63.45 111.115 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 1.2 m -60.73 -43.71 97.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 70.44 110.897 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 87' ' ' THR . 69.7 t -56.14 -50.81 68.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 71.21 111.113 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -60.24 -33.24 72.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 70.42 110.912 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 61.6 m-20 -90.24 90.62 8.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 71.14 110.9 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 12.6 p -125.9 143.91 37.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 74.25 111.105 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -155.4 -54.7 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 74.43 110.838 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 60.03 97.35 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 74.53 110.836 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.03 110.75 2.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 73.32 110.913 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.5 160.52 48.01 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.662 0.744 . . . . 74.42 110.859 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -38.45 7.86 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.679 2.253 . . . . 62.53 112.38 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -131.95 157.42 44.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 75.5 110.899 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 36.4 p -127.67 108.77 11.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 73.22 111.151 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -130.74 9.61 5.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 52.21 110.828 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.25 142.66 24.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 74.03 111.113 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -83.41 -156.83 23.07 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.692 -0.766 . . . . 62.24 112.502 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -151.62 -157.74 8.04 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.72 -0.752 . . . . 60.23 112.497 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 168.09 165.12 24.95 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.698 -0.763 . . . . 65.01 112.471 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -90.4 -172.99 44.59 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.706 -0.759 . . . . 70.34 112.478 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 105.92 -15.67 44.03 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 22.23 112.487 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.21 -35.95 16.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.837 0.351 . . . . 74.22 111.132 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -70.86 -53.11 16.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 71.52 110.846 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -26.58 62.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 74.14 110.869 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 31.4 mt -73.6 -54.04 9.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 74.35 110.928 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -60.87 -32.6 72.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 73.42 110.847 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.654 ' O ' HG23 ' A' ' 118' ' ' VAL . 1.4 mm? -71.42 -46.28 60.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 73.43 110.913 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 8.0 t90 -57.22 -55.66 31.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 75.13 110.92 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 26.1 pt -59.58 -25.62 32.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 51.41 111.092 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -74.98 -37.38 61.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 71.24 110.868 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 114' ' ' LEU . 41.1 t -67.55 -29.36 45.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 71.34 111.142 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -71.09 -55.57 7.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 71.13 110.844 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 10.5 p -61.52 -33.57 57.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 63.44 111.14 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -68.91 -55.53 10.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 53.52 110.87 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 70.8 t -63.28 -48.39 87.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 64.52 111.137 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -62.28 -38.59 89.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 61.45 110.826 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -70.03 -57.9 6.62 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.746 . . . . 60.31 112.471 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.578 HG21 ' CG1' ' A' ' 19' ' ' VAL . 38.0 p -54.93 -59.5 4.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.79 0.328 . . . . 74.33 111.175 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 49.8 mm -56.3 -31.83 33.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 73.15 111.11 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -54.63 -55.39 27.53 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.708 -0.758 . . . . 63.24 112.467 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 21.9 ptp -82.12 -22.14 36.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.804 0.335 . . . . 75.44 110.894 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -72.51 -22.32 61.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 75.35 110.89 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.2 2.7 45.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.148 -0.478 . . . . 71.1 110.928 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.52 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 1.8 tt0 -53.11 -58.5 12.15 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.625 0.726 . . . . 73.25 110.89 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 131' ' ' GLN . 53.5 Cg_endo -69.73 150.92 69.06 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.704 2.269 . . . . 63.52 112.353 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -66.94 -26.33 66.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 71.21 110.913 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -174.65 -179.2 1.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 61.3 110.877 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -67.14 -20.11 65.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 75.31 110.87 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -104.01 56.12 0.73 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 75.43 110.91 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 65.32 110.898 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.6 p30 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.822 0.344 . . . . 72.31 110.894 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.59 167.85 6.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 41.33 111.109 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -112.23 5.41 18.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 75.51 110.866 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -108.55 -14.46 14.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 73.52 110.86 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.521 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 1.8 tt0 -63.34 -58.48 15.55 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.637 0.732 . . . . 72.51 110.854 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.6 Cg_endo -69.74 -18.9 36.83 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.664 2.243 . . . . 72.31 112.36 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.26 -16.16 53.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 73.22 110.913 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -58.75 -23.31 59.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 64.4 110.866 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.525 ' OH ' HD21 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -79.29 -60.65 2.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 74.51 110.904 -179.817 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.735 ' O ' HD12 ' A' ' 15' ' ' ILE . 3.7 t -52.18 -40.52 61.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 62.11 111.16 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 91.1 mt -63.16 -43.9 99.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 75.51 111.151 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -67.71 -14.2 62.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 73.33 110.907 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.92 -24.36 22.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.473 . . . . 73.21 110.894 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.735 HD12 ' O ' ' A' ' 11' ' ' THR . 1.3 mp -78.73 -32.19 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 61.33 111.132 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.537 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 3.7 mt -51.97 -57.5 14.72 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.622 0.725 . . . . 75.52 111.107 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.5 Cg_endo -69.77 -33.64 16.16 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.689 2.259 . . . . 74.22 112.319 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.0 t -53.05 -58.72 6.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 71.31 110.878 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 58.2 t -62.86 -45.88 97.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 74.04 111.16 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.5 mt -53.95 -43.0 69.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 72.03 110.952 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.621 HG21 HG23 ' A' ' 45' ' ' VAL . 11.6 mt -55.77 -47.26 79.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 72.11 111.193 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.9 m -58.02 -53.67 55.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 63.23 111.122 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 t -52.81 -39.36 62.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 42.03 110.863 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.73 -42.61 71.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 73.12 110.908 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.95 -32.03 72.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 45.01 111.085 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.48 HD11 HG22 ' A' ' 118' ' ' VAL . 96.8 mt -73.02 -51.27 27.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 74.23 111.156 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.4 mt -52.75 -31.06 36.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 71.13 110.938 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.1 t -70.69 -43.88 77.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 62.12 111.169 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -74.43 -25.63 59.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 62.13 110.882 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.505 ' C ' HD22 ' A' ' 31' ' ' LEU . 0.1 OUTLIER -80.99 -30.83 34.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 71.34 110.988 -179.905 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.505 HD22 ' C ' ' A' ' 30' ' ' TYR . 4.6 mm? -123.24 69.87 41.41 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.631 0.729 . . . . 54.31 110.893 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 85.38 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.703 2.269 . . . . 65.44 112.366 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.9 p -109.06 -35.65 6.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.424 . . . . 63.42 110.869 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -124.25 127.69 48.06 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.177 -0.465 . . . . 75.32 110.903 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 13.3 t -75.74 -26.49 57.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 62.14 110.899 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -79.43 -7.48 88.45 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.752 -0.737 . . . . 64.22 112.426 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -71.57 -28.65 63.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.903 0.382 . . . . 64.32 110.874 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.2 mptt -62.13 -45.36 93.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 73.54 110.884 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.6 mmm -64.52 -48.08 76.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 71.03 110.874 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.457 ' HA ' HD12 ' A' ' 43' ' ' ILE . 71.8 p -56.48 -34.71 67.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 63.41 111.162 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.589 ' O ' HG12 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -64.98 -48.45 73.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 71.12 110.904 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 8.7 t -54.45 -33.32 59.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 70.03 110.897 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.457 HD12 ' HA ' ' A' ' 40' ' ' THR . 9.0 mt -76.39 -42.03 36.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 65.13 111.14 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.56 -53.8 36.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 65.21 110.883 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.621 HG23 HG21 ' A' ' 21' ' ' ILE . 8.2 p -58.03 -32.85 44.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 74.22 111.148 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.68 -41.21 54.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 75.12 110.926 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.6 tp -59.7 -51.23 70.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 63.25 110.974 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.17 -50.63 66.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 70.01 111.081 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 54.1 mt -62.64 -26.88 68.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 64.23 110.93 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 99.1 m -81.23 -26.75 35.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 70.14 111.123 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.7 t -65.83 -60.61 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 71.22 111.143 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.599 ' O ' HD12 ' A' ' 56' ' ' ILE . 12.4 m-85 -63.69 -38.41 91.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 74.44 110.897 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 23.8 tp -53.61 -54.87 31.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 64.34 110.931 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.58 -34.03 66.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 63.1 110.943 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.525 HD21 ' OH ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -52.11 -57.38 9.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 61.24 110.973 179.837 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.821 HG23 ' HA ' ' A' ' 60' ' ' VAL . 3.7 mp -79.03 -23.81 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 71.32 111.118 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.5 t -52.16 -33.16 39.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 64.15 110.833 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.52 -50.0 5.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 73.14 110.93 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 25.6 mm -149.84 131.87 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 71.41 111.169 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.821 ' HA ' HG23 ' A' ' 56' ' ' ILE . 3.1 m -51.08 156.26 1.85 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.606 0.717 . . . . 64.54 111.187 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 167.73 23.66 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.683 2.255 . . . . 65.51 112.365 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -9.08 25.23 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.668 2.245 . . . . 71.25 112.342 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.497 HG22 ' O ' ' A' ' 7' ' ' PRO . 44.5 p -53.14 -45.55 68.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 74.32 111.188 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.17 148.09 19.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 51.3 110.877 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.9 t -99.05 -36.8 9.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 73.23 110.909 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.48 131.84 54.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 73.54 110.812 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.1 t 61.91 71.81 0.71 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.7 0.762 . . . . 74.35 110.891 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 173.42 10.99 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.741 2.294 . . . . 72.14 112.351 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.8 m -129.03 16.17 6.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 64.12 110.844 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.57 HG21 HG21 ' A' ' 56' ' ' ILE . 10.6 p -64.52 -33.36 62.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 73.23 111.139 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -63.47 -39.06 97.28 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.776 -0.726 . . . . 73.2 112.444 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.33 -52.89 62.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.844 0.354 . . . . 74.52 110.866 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -68.35 -40.14 81.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 75.45 110.968 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 11.7 tp -57.15 -46.09 83.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 71.11 110.937 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 1.5 ttt -57.75 -53.04 62.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 52.23 110.864 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -61.7 -32.45 72.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 73.42 110.906 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.445 ' O ' HG23 ' A' ' 81' ' ' VAL . 1.5 m -69.0 -51.6 37.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 71.43 111.148 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.9 mmt -57.29 -42.34 81.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 63.03 110.878 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 40.7 t -54.46 -57.87 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 75.25 111.126 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.71 -42.09 96.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 63.54 110.887 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 77' ' ' THR . 24.8 t -55.05 -51.33 55.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 70.34 111.165 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.457 ' O ' HG23 ' A' ' 86' ' ' VAL . 7.2 m -51.88 -45.16 64.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 73.41 111.13 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -68.6 -45.13 72.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 74.05 110.845 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.75 -47.67 70.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 52.11 110.859 -179.757 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 29.3 mm -61.1 -41.06 87.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 64.22 111.107 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 82' ' ' THR . 54.8 t -60.82 -43.85 96.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 74.24 111.117 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.29 -33.93 65.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 75.42 111.148 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.75 -61.35 2.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 74.4 110.859 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 34.8 m -65.23 -22.19 30.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 75.41 111.114 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 8.6 t -69.0 -31.17 69.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 61.13 110.848 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 37.1 t -89.36 -35.58 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 62.11 111.124 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.4 tp -61.94 -35.15 77.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 73.25 110.895 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -162.82 179.8 7.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 65.32 110.848 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.5 p -102.15 151.46 5.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 74.54 111.105 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -150.88 125.95 9.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 73.3 110.859 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 58.07 77.39 0.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 70.53 110.856 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.03 -176.8 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 75.03 110.9 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.99 160.56 43.17 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.67 0.748 . . . . 62.21 110.851 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -40.18 5.58 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.695 2.264 . . . . 52.35 112.307 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -160.82 176.7 11.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 61.12 110.865 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 36.0 p -93.47 120.4 33.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 74.22 111.152 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -53.37 -56.69 14.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.464 . . . . 61.4 110.86 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.7 m 57.42 61.52 2.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 64.14 111.17 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 87.31 -59.51 4.42 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.739 -0.743 . . . . 64.3 112.471 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 167.38 106.43 0.19 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.76 -0.733 . . . . 61.14 112.507 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 175.63 -157.73 24.32 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.787 -0.72 . . . . 62.23 112.537 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 129.29 -68.99 0.54 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.743 -0.741 . . . . 52.52 112.491 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 84.0 9.2 82.89 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.692 -0.766 . . . . 72.13 112.502 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.2 -35.99 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.83 0.348 . . . . 74.14 111.122 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.511 ' O ' HD12 ' A' ' 114' ' ' LEU . 6.7 m-20 -67.71 -55.39 13.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 72.32 110.863 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -29.48 67.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 63.11 110.879 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.0 mt -64.41 -56.08 16.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 75.11 110.923 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.25 -24.6 64.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 75.42 110.879 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.511 HD12 ' O ' ' A' ' 110' ' ' ASP . 0.3 OUTLIER -68.25 -43.37 78.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 71.55 110.926 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -80.21 -42.38 23.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 74.22 110.906 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 1.1 tt -56.32 -24.74 18.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.27 -0.423 . . . . 65.13 111.124 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.13 -59.24 2.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 74.22 110.842 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.48 HG22 HD11 ' A' ' 26' ' ' ILE . 65.7 t -52.53 -29.43 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 70.12 111.162 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -69.52 -61.33 1.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 74.02 110.88 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 9.3 p -60.88 -30.48 47.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 71.21 111.109 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.52 -46.13 77.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 71.12 110.907 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 19.5 t -68.25 -37.94 78.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 74.24 111.136 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -62.23 -55.78 25.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 72.51 110.864 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -63.38 -47.47 87.28 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.726 -0.749 . . . . 61.22 112.52 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.8 m -58.14 -58.82 6.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.774 0.321 . . . . 64.25 111.185 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 17.8 mm -57.04 -30.26 33.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 45.23 111.118 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -56.58 -56.76 22.93 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.736 -0.745 . . . . 73.12 112.467 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 11.4 ptp -80.41 -24.0 39.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 70.34 110.888 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -70.99 -14.19 62.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 73.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.98 -9.54 59.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 71.32 110.911 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.525 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 2.7 tt0 -52.37 -58.41 11.76 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.541 0.686 . . . . 61.24 110.928 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 131' ' ' GLN . 54.1 Cg_endo -69.76 150.92 68.83 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.706 2.271 . . . . 72.14 112.351 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.4 HD21 ' HA ' ' A' ' 137' ' ' GLU . 2.3 pt? -66.86 -26.36 66.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 73.2 110.939 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -177.93 -177.59 0.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 74.32 110.873 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -67.13 -28.88 68.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 73.0 110.923 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -92.41 51.51 1.77 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 64.22 110.866 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.4 ' HA ' HD21 ' A' ' 133' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 72.33 110.896 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.849 0.357 . . . . 70.34 110.917 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -164.31 43.96 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 75.24 111.062 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -102.76 32.03 3.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 72.32 110.87 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -92.76 7.91 41.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 52.14 110.923 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.526 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 1.6 tt0 -54.51 -58.44 14.07 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.635 0.731 . . . . 71.33 110.88 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.7 Cg_endo -69.79 -28.98 24.44 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.676 2.251 . . . . 51.13 112.298 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.819 HD23 HD11 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -65.48 -16.31 63.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.261 -0.427 . . . . 62.13 110.929 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -61.23 -21.08 63.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 72.15 110.864 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -78.57 -60.89 2.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 72.33 110.951 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.2 t -53.67 -40.68 66.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.506 . . . . 51.2 111.14 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.819 HD11 HD23 ' A' ' 8' ' ' LEU . 84.0 mt -63.2 -41.27 92.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 64.04 111.12 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.413 ' HA ' HD12 ' A' ' 16' ' ' ILE . 14.0 t30 -70.71 -11.17 60.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 70.54 110.885 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.588 HD21 ' CD1' ' A' ' 52' ' ' PHE . 0.6 OUTLIER -89.01 -27.53 20.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 72.13 110.934 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.586 HD11 ' CG ' ' A' ' 128' ' ' MET . 40.2 mm -79.3 -30.67 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 74.44 111.11 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.54 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 2.4 mt -51.76 -57.43 14.74 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.653 0.74 . . . . 65.34 111.167 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.54 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.5 Cg_endo -69.79 -37.9 8.47 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.679 2.252 . . . . 75.14 112.329 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -52.6 -49.28 65.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 52.13 110.87 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 15' ' ' ILE . 49.2 t -67.09 -44.25 88.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 65.14 111.135 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -57.29 -41.26 79.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 62.45 110.926 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.716 HD11 ' HB1' ' A' ' 48' ' ' ALA . 11.5 mt -57.5 -46.89 85.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 52.31 111.141 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.48 HG23 ' CD1' ' A' ' 117' ' ' PHE . 30.0 m -63.91 -52.96 57.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 73.45 111.11 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.21 -36.18 60.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 73.24 110.878 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.85 -43.88 97.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 74.12 110.935 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.17 -32.82 73.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 74.24 111.069 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 63.4 mt -72.9 -40.91 60.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 71.41 111.124 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -66.07 -41.38 90.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 53.43 110.954 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.1 t -56.71 -54.73 25.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 64.52 111.139 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.592 ' CB ' HD11 ' A' ' 114' ' ' LEU . 0.9 OUTLIER -57.37 -28.65 63.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 74.32 110.892 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -81.18 -24.98 37.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 74.13 110.924 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 mp -119.9 68.68 12.6 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.62 0.724 . . . . 63.43 110.893 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 80.55 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.64 2.227 . . . . 63.51 112.36 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.59 -32.84 58.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 75.14 110.894 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -165.97 173.76 10.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 64.12 110.834 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 59.5 m -82.9 -22.49 33.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 74.34 110.853 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -78.42 -18.32 76.19 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.799 -0.715 . . . . 74.35 112.505 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -53.68 -39.86 65.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.961 0.41 . . . . 73.24 110.892 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -57.28 -42.67 82.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 74.24 110.899 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.16 -39.82 83.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 72.32 110.91 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.7 m -63.49 -37.22 86.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 55.53 111.198 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.1 tp -70.44 -34.31 72.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 70.32 110.903 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 51.8 t -59.06 -41.08 87.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 51.42 110.888 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.9 mt -71.72 -36.47 59.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 54.1 111.144 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.5 t -68.07 -54.5 17.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 70.35 110.874 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.659 HG23 HG23 ' A' ' 21' ' ' ILE . 0.7 OUTLIER -60.98 -22.97 28.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 74.41 111.111 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.04 -49.63 55.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 73.4 110.905 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.546 ' O ' HG23 ' A' ' 51' ' ' VAL . 4.5 mp -58.42 -34.2 70.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 75.22 110.895 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.716 ' HB1' HD11 ' A' ' 21' ' ' ILE . . . -58.94 -52.71 64.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 64.05 111.123 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.66 HD21 ' CG2' ' A' ' 77' ' ' THR . 0.2 OUTLIER -56.32 -34.76 66.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 72.2 110.919 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.1 -32.59 74.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 63.22 111.13 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 47' ' ' LEU . 36.9 t -64.62 -48.09 86.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 72.33 111.146 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.695 ' CE1' HD11 ' A' ' 56' ' ' ILE . 11.7 t80 -55.02 -45.28 75.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 73.12 110.873 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.37 -58.43 8.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 63.1 110.965 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.4 tp -53.22 -33.63 53.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 71.45 110.924 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.23 -59.44 4.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 73.35 110.921 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.785 HG23 ' HA ' ' A' ' 60' ' ' VAL . 4.0 mp -76.92 -24.38 15.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 63.34 111.143 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.4 p -52.08 -32.95 37.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 72.21 110.848 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -93.24 -49.81 5.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 63.25 110.927 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 29.7 mm -150.82 130.79 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 72.33 111.088 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.785 ' HA ' HG23 ' A' ' 56' ' ' ILE . 3.1 m -51.16 156.24 1.93 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.591 0.71 . . . . 52.14 111.178 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 167.75 23.51 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.671 2.247 . . . . 73.34 112.341 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -21.27 33.72 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.668 2.245 . . . . 65.3 112.364 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.7 m -85.04 55.42 3.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 73.41 111.157 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.5 m -61.05 -69.27 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 62.34 110.857 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 62.33 177.99 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 64.03 110.85 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -69.87 -43.01 72.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.108 -0.497 . . . . 73.43 110.888 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.77 160.57 30.99 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.656 0.741 . . . . 75.42 110.912 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 121.49 8.18 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.727 2.285 . . . . 74.25 112.309 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.7 t -96.13 -29.07 14.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.435 . . . . 63.15 110.851 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.9 m -59.7 -32.6 49.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 71.34 111.149 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -80.21 -39.43 15.84 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.775 -0.726 . . . . 64.24 112.468 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.45 -62.0 2.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.833 0.349 . . . . 74.4 110.894 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -56.26 -45.94 79.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 74.04 110.937 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 31.4 tp -58.5 -31.13 67.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 73.33 110.926 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 2.7 tpt -61.38 -52.41 64.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 73.32 110.908 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -67.54 -25.8 65.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 74.34 110.885 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.66 ' CG2' HD21 ' A' ' 49' ' ' LEU . 4.8 m -72.9 -32.8 65.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.111 -0.495 . . . . 42.15 111.135 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 7.9 mmt -71.83 -55.41 7.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 73.34 110.823 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 6.7 p -52.35 -35.43 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 65.4 111.165 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.9 mt -69.63 -53.13 20.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 65.03 110.906 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 77' ' ' THR . 97.0 t -54.77 -33.68 28.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 74.42 111.101 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 72.6 m -64.29 -44.29 92.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 72.41 111.165 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -62.74 -33.33 74.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 63.32 110.883 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.5 t -63.14 -45.3 92.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 62.31 110.851 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 26.3 mm -61.64 -38.22 79.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 73.44 111.151 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 69.0 t -61.28 -46.87 95.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 74.2 111.117 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 25.4 p -71.09 -30.98 67.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 33.5 111.139 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.3 t -59.37 -53.03 62.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 53.41 110.894 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 59.5 t -61.45 -36.29 72.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 72.14 111.1 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -53.42 -48.51 68.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 62.32 110.893 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 94.6 t -69.82 -27.05 31.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 73.14 111.148 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.2 tp -54.76 -61.64 2.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 75.13 110.913 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -178.7 134.4 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 72.43 110.874 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 13.5 p -118.01 141.64 36.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 74.03 111.186 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -158.76 146.68 18.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 64.43 110.827 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -134.53 123.5 24.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 60.31 110.859 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 24.4 mtm180 -88.47 102.92 15.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 75.33 110.883 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -167.05 160.59 11.0 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.614 0.721 . . . . 63.24 110.871 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -36.45 10.95 Favored 'Trans proline' 0 C--N 1.34 0.109 0 C-N-CA 122.717 2.278 . . . . 73.14 112.352 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -109.16 123.94 50.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 74.42 110.898 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 6.5 p -137.18 159.06 43.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 72.12 111.164 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 8.9 p80 -115.43 163.07 16.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 72.44 110.882 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.6 m -145.71 55.14 1.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 73.34 111.178 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 154.01 122.67 0.87 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.789 -0.719 . . . . 73.53 112.538 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 141.67 148.75 5.09 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.738 -0.744 . . . . 64.54 112.492 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 90.9 160.63 36.72 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.776 -0.726 . . . . 44.31 112.482 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 166.92 148.04 5.46 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 74.51 112.477 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 105.33 -12.73 48.0 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.716 -0.754 . . . . 65.43 112.47 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.17 -35.98 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.84 0.352 . . . . 74.52 111.162 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -74.58 -55.53 5.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 73.31 110.864 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.43 -30.23 39.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 73.22 110.883 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 18.4 mt -69.72 -42.13 74.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.147 -0.479 . . . . 64.45 110.932 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -75.01 -23.74 58.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 71.53 110.906 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.592 HD11 ' CB ' ' A' ' 29' ' ' PHE . 0.5 OUTLIER -78.8 -43.28 25.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.099 -0.5 . . . . 74.23 110.883 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -60.2 -50.87 71.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.24 -0.436 . . . . 74.33 110.963 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 2.4 pp -63.5 -31.45 52.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 73.4 111.124 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.48 ' CD1' HG23 ' A' ' 22' ' ' THR . 0.1 OUTLIER -53.57 -51.13 63.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 72.51 110.878 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 24.3 t -66.6 -36.6 77.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 53.01 111.108 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -54.86 -56.76 15.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 71.44 110.849 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.6 p -65.7 -30.15 49.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 75.35 111.111 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 2.0 t -66.42 -44.84 81.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 53.44 110.882 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 9.3 t -65.11 -38.42 82.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 62.25 111.126 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -65.61 -44.75 85.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 71.21 110.841 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -73.56 -48.59 17.34 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.752 -0.737 . . . . 65.13 112.477 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.442 ' OG1' HG22 ' A' ' 19' ' ' VAL . 10.0 m -53.01 -55.44 23.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.77 0.319 . . . . 74.43 111.117 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 38.0 mm -71.69 -22.59 21.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 71.31 111.136 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -58.55 -40.63 94.78 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.704 -0.76 . . . . 74.33 112.483 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' MET . . . . . 0.586 ' CG ' HD11 ' A' ' 15' ' ' ILE . 5.2 mmt -84.86 -30.92 24.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.765 0.317 . . . . 63.45 110.866 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -76.01 -14.22 60.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 52.33 110.896 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 1.9 tt -84.51 -10.18 57.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.497 . . . . 43.43 110.919 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.515 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 1.5 tt0 -53.51 -58.53 12.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.632 0.729 . . . . 64.15 110.878 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 131' ' ' GLN . 53.6 Cg_endo -69.72 150.89 69.06 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.715 2.277 . . . . 75.11 112.354 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -66.85 -26.32 66.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 73.34 110.927 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -169.04 -176.87 2.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 71.13 110.853 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -65.12 -30.06 70.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 54.35 110.879 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 58.45 82.18 0.14 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 74.41 110.902 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 74.34 110.931 -179.955 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.812 0.339 . . . . 62.11 110.891 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.34 95.2 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 74.41 111.059 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -119.29 45.64 2.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 73.43 110.89 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -83.32 -12.63 56.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 73.33 110.854 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.52 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 5.1 tt0 -64.02 -58.43 14.56 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.645 0.736 . . . . 65.32 110.896 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.5 Cg_endo -69.71 -20.66 34.76 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.702 2.268 . . . . 64.22 112.335 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.482 HD11 ' CB ' ' A' ' 132' ' ' PRO . 0.5 OUTLIER -84.06 -15.44 47.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 51.33 110.929 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -77.17 -25.01 51.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 75.22 110.875 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.627 ' CE1' HD12 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -70.79 -54.19 12.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 64.41 110.933 -179.855 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.72 ' O ' HD12 ' A' ' 15' ' ' ILE . 5.2 t -57.49 -39.45 76.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 73.02 111.104 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 66.3 mt -63.22 -34.52 67.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 62.33 111.131 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -77.01 -15.65 59.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 72.44 110.925 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.627 HD12 ' CE1' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -88.93 -27.55 20.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 63.1 110.95 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.72 HD12 ' O ' ' A' ' 11' ' ' THR . 2.4 mt -79.44 -30.73 13.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 72.23 111.082 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.533 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 1.5 mm -51.69 -57.49 14.43 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.634 0.73 . . . . 65.24 111.156 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.6 Cg_endo -69.77 -38.21 8.09 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.684 2.256 . . . . 73.35 112.349 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.2 t -52.03 -58.65 5.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 70.3 110.9 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 15' ' ' ILE . 20.4 t -62.91 -47.51 92.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 73.21 111.115 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.9 mt -51.95 -42.23 62.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 72.43 110.92 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.746 HD11 ' HB1' ' A' ' 48' ' ' ALA . 6.1 mt -57.0 -48.32 81.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 72.4 111.149 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 75.3 m -62.9 -54.74 33.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 75.14 111.124 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.66 -46.56 67.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 72.01 110.877 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.3 mt -53.25 -37.4 62.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.496 . . . . 54.5 110.908 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.75 -33.87 64.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 73.0 111.109 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.457 HD11 HG22 ' A' ' 118' ' ' VAL . 86.9 mt -71.67 -50.87 36.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 74.41 111.132 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 67.1 mt -54.59 -41.74 70.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 62.13 110.907 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.795 HG21 ' HB2' ' A' ' 41' ' ' LEU . 5.0 t -57.6 -45.89 86.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 64.41 111.128 179.79 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -75.77 -23.94 55.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 74.2 110.889 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -81.23 -19.37 43.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 72.43 110.9 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.29 69.8 51.89 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.556 0.693 . . . . 74.34 110.928 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 83.69 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.669 2.246 . . . . 62.52 112.331 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -98.19 -176.48 3.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 60.32 110.879 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.29 35.36 3.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.125 -0.489 . . . . 62.15 110.846 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 m -105.31 -23.77 12.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.445 . . . . 64.42 110.914 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 105.97 34.62 3.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 61.34 112.469 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.422 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.3 OUTLIER -59.97 -25.36 65.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.952 0.406 . . . . 75.04 110.912 -179.861 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -63.4 -58.41 7.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 73.33 110.878 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.5 mmt -61.01 -36.2 78.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 74.43 110.895 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 56.0 m -63.02 -34.1 76.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 73.44 111.117 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.795 ' HB2' HG21 ' A' ' 28' ' ' VAL . 9.9 tp -65.39 -45.48 83.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.262 -0.426 . . . . 62.11 110.947 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.7 t -54.05 -42.28 69.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 73.33 110.885 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 85.2 mt -76.26 -31.32 20.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 74.35 111.094 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.0 t -64.92 -58.48 6.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 63.33 110.891 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.726 HG22 HG23 ' A' ' 21' ' ' ILE . 5.1 t -54.39 -47.39 69.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 75.1 111.109 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.38 -47.08 79.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 71.14 110.955 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.406 ' O ' HG23 ' A' ' 51' ' ' VAL . 12.6 tp -54.5 -39.93 68.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 63.21 110.944 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.746 ' HB1' HD11 ' A' ' 21' ' ' ILE . . . -56.52 -46.47 80.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 61.22 111.09 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.2 tt -54.55 -45.1 73.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 74.23 110.903 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.9 -35.9 71.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 73.41 111.104 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 47' ' ' LEU . 35.7 t -59.37 -45.68 93.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 63.32 111.159 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.687 ' O ' HD12 ' A' ' 56' ' ' ILE . 15.6 m-85 -56.69 -44.14 81.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 70.34 110.892 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.9 tt -51.86 -59.09 4.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 60.44 110.913 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.03 -34.47 65.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 61.15 110.912 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.65 -64.73 0.72 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 64.34 110.932 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.687 HD12 ' O ' ' A' ' 52' ' ' PHE . 3.1 mp -72.78 -25.73 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 71.43 111.106 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 33.4 t -51.86 -30.58 24.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 75.23 110.875 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.521 ' CG ' HD12 ' A' ' 59' ' ' ILE . 0.3 OUTLIER -92.84 -50.07 5.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 74.35 110.906 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.521 HD12 ' CG ' ' A' ' 58' ' ' LYS . 3.3 mp -150.21 133.69 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 65.11 111.143 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.549 ' HA ' HG23 ' A' ' 56' ' ' ILE . 0.9 OUTLIER -88.97 154.93 49.99 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.581 0.705 . . . . 60.22 111.193 179.834 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 167.76 23.59 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.652 2.234 . . . . 64.23 112.308 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -40.78 4.91 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.635 2.223 . . . . 74.13 112.361 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.9 p 51.77 32.63 9.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 71.22 111.134 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.2 t -55.75 -25.97 43.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 64.04 110.847 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.61 171.59 0.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 55.14 110.833 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -59.28 -63.3 1.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 70.0 110.832 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.21 160.59 57.0 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.644 0.735 . . . . 74.23 110.893 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -175.44 1.17 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.673 2.249 . . . . 75.43 112.294 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.28 -60.91 0.89 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 71.23 110.861 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 30.7 m -55.6 -34.52 35.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.109 -0.496 . . . . 53.12 111.141 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.05 -51.73 4.6 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.725 -0.75 . . . . 53.44 112.471 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.53 -44.82 65.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.902 0.382 . . . . 75.25 110.878 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -64.9 -43.07 94.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 71.45 110.9 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.31 -42.46 70.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.495 . . . . 73.25 110.868 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 2.2 ttp -61.35 -50.19 73.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 64.41 110.868 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -62.72 -34.13 76.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 64.15 110.914 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 9.6 m -72.13 -34.42 68.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 71.02 111.13 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -61.84 -48.23 81.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 73.32 110.893 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 4.8 p -69.79 -28.24 36.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 70.41 111.13 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.05 -43.37 58.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 62.11 110.9 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 25.1 t -65.4 -46.93 88.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 62.32 111.089 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 33.6 m -52.74 -52.18 57.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 64.01 111.134 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -68.79 -30.04 68.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 75.24 110.881 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.3 m -62.19 -53.51 54.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 73.33 110.85 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 17.4 mm -54.28 -49.31 64.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 72.31 111.101 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 11.3 t -51.82 -58.25 2.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 64.45 111.168 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.89 -29.7 65.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 74.33 111.154 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.47 -60.23 2.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 62.21 110.869 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.72 -32.44 51.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 71.22 111.115 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 2.3 m -59.39 -41.31 89.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 60.12 110.864 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.9 t -74.93 -33.19 29.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 65.43 111.155 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.89 -66.73 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 74.21 110.946 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -158.27 159.83 36.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 52.21 110.883 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.2 p -171.56 141.07 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 74.22 111.117 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -148.78 107.81 3.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 65.24 110.889 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -105.98 131.77 52.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 71.11 110.869 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.13 151.42 24.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 74.32 110.876 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -161.08 160.54 24.56 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.675 0.75 . . . . 60.42 110.848 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 -39.37 6.71 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.693 2.262 . . . . 73.31 112.35 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.93 137.38 46.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 70.4 110.914 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 20.8 p -69.56 99.41 1.27 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 74.41 111.157 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -90.48 178.71 6.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 74.2 110.856 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 13.3 p -54.55 165.49 0.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 73.11 111.108 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 166.36 121.39 0.56 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 71.32 112.478 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -90.03 -111.28 1.41 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.698 -0.763 . . . . 72.33 112.458 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.07 22.5 7.89 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.746 -0.74 . . . . 54.35 112.511 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -109.34 132.47 11.09 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.748 -0.739 . . . . 70.22 112.459 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 84.18 11.67 77.96 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.724 -0.75 . . . . 43.44 112.462 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.17 -36.0 16.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.822 0.344 . . . . 74.4 111.101 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.615 ' C ' HD12 ' A' ' 114' ' ' LEU . 95.9 m-20 -66.12 -59.25 3.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 60.22 110.858 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -55.18 -27.19 43.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 74.34 110.897 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.0 mt -67.34 -57.33 6.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 72.35 110.936 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.0 -24.56 63.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 74.34 110.884 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.615 HD12 ' C ' ' A' ' 110' ' ' ASP . 0.3 OUTLIER -68.26 -43.29 78.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 74.41 110.948 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 21.6 t90 -80.16 -42.46 23.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 71.13 110.92 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 1.1 tt -56.26 -24.73 18.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 62.22 111.178 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.11 -57.73 3.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 63.24 110.921 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.67 ' O ' HG23 ' A' ' 122' ' ' VAL . 97.9 t -51.78 -29.92 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 71.42 111.112 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -70.85 -57.06 4.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 72.02 110.86 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 10.3 p -63.24 -24.39 35.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 55.52 111.073 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.64 -38.14 67.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 72.43 110.881 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 118' ' ' VAL . 74.8 t -63.84 -43.71 97.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 63.13 111.115 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -66.58 -45.42 79.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 72.15 110.907 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -66.93 -53.92 24.36 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.688 -0.767 . . . . 35.53 112.513 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 53.2 m -53.96 -52.84 59.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.788 0.328 . . . . 70.31 111.176 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 26.3 mt -57.07 -36.55 51.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 75.21 111.159 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -57.53 -37.05 80.6 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.755 -0.736 . . . . 53.25 112.471 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' MET . . . . . 0.532 ' HB3' HD11 ' A' ' 15' ' ' ILE . 27.6 mmt -67.02 -46.74 73.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.813 0.339 . . . . 74.41 110.892 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -73.5 -14.02 61.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 74.42 110.868 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.5 tt -80.02 -16.55 54.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 74.02 110.904 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.528 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 1.8 tt0 -60.79 -58.45 19.23 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.631 0.729 . . . . 74.14 110.951 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 131' ' ' GLN . 53.3 Cg_endo -69.78 150.96 68.8 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.687 2.258 . . . . 60.42 112.342 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -66.89 -26.37 66.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.211 -0.45 . . . . 72.34 110.909 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -170.11 178.28 3.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 74.4 110.899 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -30.89 71.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 61.44 110.886 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 56.53 73.49 0.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 61.41 110.857 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 75.24 110.893 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.782 0.325 . . . . 35.14 110.926 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.49 151.02 38.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 73.44 111.118 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -117.5 49.62 1.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 72.31 110.905 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -118.32 107.8 14.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 70.41 110.884 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.506 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 6.1 tt0 178.55 -59.24 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.656 0.741 . . . . 61.33 110.884 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 54.3 Cg_endo -69.76 -21.24 33.76 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.698 2.266 . . . . 71.43 112.359 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.454 HD23 ' CG1' ' A' ' 12' ' ' ILE . 0.3 OUTLIER -75.28 -16.16 60.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 65.32 110.873 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -61.91 -24.26 66.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 72.15 110.869 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -74.95 -59.74 2.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 75.43 110.871 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.705 ' O ' HD12 ' A' ' 15' ' ' ILE . 4.2 t -54.23 -38.41 65.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.505 . . . . 63.01 111.127 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.46 HD11 ' HG3' ' A' ' 132' ' ' PRO . 6.8 mm -59.54 -47.83 89.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 71.3 111.098 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -67.1 -13.68 62.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 72.43 110.9 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.439 HD11 HD11 ' A' ' 56' ' ' ILE . 0.5 OUTLIER -89.0 -24.38 22.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 72.3 110.918 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.705 HD12 ' O ' ' A' ' 11' ' ' THR . 1.4 mp -78.78 -32.37 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 74.1 111.12 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.541 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 2.0 mm -51.78 -57.44 14.71 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.655 0.74 . . . . 74.22 111.154 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.7 Cg_endo -69.77 -34.49 14.45 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.721 2.281 . . . . 72.44 112.321 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -52.39 -55.4 21.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 72.34 110.877 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.814 HG22 HG21 ' A' ' 125' ' ' THR . 9.1 t -71.47 -28.14 30.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 62.31 111.121 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.0 tt -65.84 -45.55 81.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 72.4 110.916 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.61 ' CG2' HG22 ' A' ' 45' ' ' VAL . 7.3 mt -65.27 -42.42 93.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 63.21 111.17 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -59.14 -49.13 79.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.126 -0.488 . . . . 74.42 111.156 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.504 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -52.49 -45.59 66.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 54.25 110.856 -179.838 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.726 HD22 HD21 ' A' ' 41' ' ' LEU . 0.1 OUTLIER -56.03 -48.91 75.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 43.25 110.897 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.96 -27.01 69.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 70.41 111.061 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.504 HD12 ' HA ' ' A' ' 23' ' ' SER . 48.9 mt -78.97 -46.24 23.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 53.12 111.138 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.09 -41.39 92.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 74.54 110.907 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 43.3 t -64.75 -40.69 89.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 65.23 111.138 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.59 -35.44 74.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 74.52 110.888 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.495 ' C ' HD12 ' A' ' 31' ' ' LEU . 7.2 m-85 -81.9 -26.6 33.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 72.31 110.955 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.495 HD12 ' C ' ' A' ' 30' ' ' TYR . 6.9 mp -133.96 71.13 74.16 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.561 0.696 . . . . 73.44 110.885 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 175.5 7.99 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.685 2.257 . . . . 73.15 112.337 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.52 165.32 27.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 55.44 110.891 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -81.65 -13.26 58.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 70.33 110.894 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -79.55 -6.42 56.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 70.23 110.886 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 75.26 41.68 30.52 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.744 . . . . 64.13 112.509 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -61.27 -31.68 71.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.886 0.374 . . . . 74.12 110.839 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.8 tptt -68.89 -33.83 74.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 75.04 110.893 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.1 mtp -63.35 -58.67 6.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 73.11 110.909 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 5.5 t -57.31 -27.11 61.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 65.11 111.118 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.726 HD21 HD22 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -68.47 -49.87 56.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 64.34 110.922 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.0 t -52.71 -43.21 65.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 75.44 110.903 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 59.9 mt -64.44 -37.63 80.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 64.43 111.114 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.9 m -70.44 -49.63 46.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 73.23 110.855 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.61 HG22 ' CG2' ' A' ' 21' ' ' ILE . 3.5 t -52.21 -40.28 30.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 71.13 111.13 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.23 -45.9 86.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 74.14 110.86 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.513 ' O ' HG23 ' A' ' 51' ' ' VAL . 3.8 tt -61.67 -47.88 83.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 73.12 110.912 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.52 -44.69 72.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 70.21 111.051 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.67 -40.48 92.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 75.23 110.96 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 46.1 m -65.78 -38.37 88.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 74.15 111.13 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 47' ' ' LEU . 64.3 t -59.15 -53.94 41.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.425 . . . . 71.24 111.114 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -65.82 -39.03 90.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 74.45 110.864 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.0 tt -57.65 -37.94 74.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 74.54 110.896 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.6 mp -70.31 -39.38 74.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 64.12 110.923 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.16 -61.57 2.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 75.32 110.875 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.439 HD11 HD11 ' A' ' 14' ' ' LEU . 1.4 mp -54.92 -32.41 26.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 74.44 111.122 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.03 -43.15 99.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 73.32 110.903 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.25 -21.52 58.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 71.42 110.936 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.804 HG22 ' HD3' ' A' ' 61' ' ' PRO . 19.9 mt 65.93 110.86 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 63.42 111.151 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.5 m -125.36 73.72 67.72 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.627 0.727 . . . . 73.13 111.163 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.804 ' HD3' HG22 ' A' ' 59' ' ' ILE . 53.9 Cg_endo -69.73 167.78 23.41 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.665 2.243 . . . . 54.42 112.362 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -37.11 9.58 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.664 2.243 . . . . 71.34 112.296 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -170.39 -38.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 70.12 111.161 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 74.8 m -146.02 122.27 10.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 70.14 110.851 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.6 t -104.3 166.79 10.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 72.32 110.881 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -171.58 -41.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.141 -0.481 . . . . 74.14 110.867 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.4 m -138.16 71.15 47.83 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.723 0.773 . . . . 42.53 110.885 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 138.17 37.17 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.672 2.248 . . . . 71.52 112.353 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.73 -10.75 13.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 73.11 110.848 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 34.8 m -60.19 -25.45 33.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 72.35 111.132 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -72.3 -33.88 61.35 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.719 -0.753 . . . . 50.4 112.484 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -63.18 -57.04 11.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 74.33 110.903 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -53.48 -40.86 65.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 73.12 110.919 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.37 -37.77 88.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 61.32 110.883 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 2.1 ttt -59.95 -56.25 24.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 63.03 110.895 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -65.14 -29.09 69.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 44.31 110.904 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 16.4 m -68.83 -48.81 62.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.162 -0.472 . . . . 72.14 111.14 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.8 mmt -57.09 -35.04 68.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 74.21 110.891 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 30.9 t -65.72 -59.72 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 63.3 111.146 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.6 tp -56.89 -45.85 82.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 74.42 110.928 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.7 t -57.13 -47.32 84.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 61.4 111.138 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.8 m -51.93 -42.17 62.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 63.23 111.165 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.98 -50.39 70.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 65.0 110.879 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 82.4 p -64.38 -46.01 85.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 70.32 110.849 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 17.6 mm -58.38 -43.15 85.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 65.32 111.133 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 10.4 t -53.33 -60.94 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 63.3 111.13 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.5 ' O ' HG23 ' A' ' 91' ' ' VAL . 0.5 OUTLIER -57.83 -23.83 54.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 74.24 111.171 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.42 -51.58 59.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 62.23 110.883 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 38.9 t -68.57 -36.83 76.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 74.13 111.125 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 32.6 t -56.1 -33.15 64.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 72.55 110.92 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 87' ' ' THR . 76.0 t -76.79 -37.77 28.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 73.33 111.161 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.29 -17.88 59.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 62.34 110.911 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -91.43 153.58 19.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.427 . . . . 65.21 110.873 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.6 p -137.14 152.06 27.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 73.52 111.119 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -168.47 164.29 12.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 71.21 110.85 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 60.01 25.67 14.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 75.2 110.893 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.02 175.37 0.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 72.45 110.917 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -142.33 160.6 53.98 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.686 0.755 . . . . 73.44 110.863 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 -37.77 8.57 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.635 2.224 . . . . 73.42 112.324 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -172.63 167.45 5.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 72.15 110.901 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -93.87 -11.01 32.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 75.13 111.128 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -135.22 108.55 7.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 65.43 110.882 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.17 122.92 23.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 53.04 111.154 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -72.49 125.92 10.78 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.753 -0.737 . . . . 74.44 112.482 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 93.32 -174.76 35.54 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.756 -0.735 . . . . 74.42 112.502 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -136.2 172.54 22.35 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.739 -0.743 . . . . 70.33 112.474 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -72.16 -52.36 11.37 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.756 -0.735 . . . . 52.43 112.456 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 137.22 -37.1 1.89 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.724 -0.751 . . . . 62.22 112.463 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.18 -36.03 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.791 0.329 . . . . 52.22 111.07 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -70.46 -51.96 25.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 74.15 110.879 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -53.72 -38.69 64.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 75.04 110.883 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.0 tp -64.1 -50.64 67.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 74.33 110.874 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -62.93 -37.11 85.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 74.2 110.887 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.0 -46.5 65.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 72.02 110.902 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 24.2 t90 -55.99 -51.92 66.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 74.32 110.923 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 27.9 pt -64.78 -29.47 47.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 72.02 111.126 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -65.58 -35.42 80.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 62.54 110.885 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.632 ' O ' HG23 ' A' ' 122' ' ' VAL . 98.0 t -72.93 -34.47 46.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 72.44 111.153 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.88 -61.85 2.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 73.23 110.835 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 11.2 p -57.29 -29.74 33.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 41.24 111.115 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 1.8 m -73.46 -28.81 62.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 75.24 110.915 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 118' ' ' VAL . 25.7 t -70.41 -61.59 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 73.41 111.14 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -60.76 -27.73 68.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 72.53 110.883 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -68.98 -58.79 6.42 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.725 -0.75 . . . . 74.43 112.444 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.814 HG21 HG22 ' A' ' 19' ' ' VAL . 33.0 p -68.14 -54.09 20.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.761 0.315 . . . . 73.01 111.167 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 33.4 mm -59.64 -32.61 49.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 62.44 111.152 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -57.85 -55.36 30.99 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.75 . . . . 53.31 112.524 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 18.2 ptp -79.38 -22.09 44.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.827 0.346 . . . . 75.44 110.877 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -79.76 -13.99 59.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 72.31 110.885 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -88.78 -8.26 54.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 73.13 110.904 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.528 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 4.0 tt0 -59.22 -58.45 19.39 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.563 0.697 . . . . 75.24 110.904 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 131' ' ' GLN . 54.0 Cg_endo -69.74 150.96 69.02 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.674 2.249 . . . . 74.25 112.36 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -66.94 -26.29 66.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 75.45 110.923 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -167.23 175.96 7.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 65.42 110.848 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.53 -28.26 44.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 64.23 110.938 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 55.47 57.97 4.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 74.53 110.864 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 72.52 110.844 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.5 t30 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.844 0.354 . . . . 71.51 110.883 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.85 179.89 5.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 72.04 111.093 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -102.9 5.21 38.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 54.55 110.867 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -98.06 -13.36 21.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 64.41 110.911 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.54 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 5.1 tp10 -60.71 -58.16 21.31 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.667 0.746 . . . . 64.01 110.905 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.54 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 54.0 Cg_endo -69.71 -22.57 32.12 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.679 2.253 . . . . 53.31 112.331 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.46 HD23 ' CG1' ' A' ' 12' ' ' ILE . 0.7 OUTLIER -66.81 -15.17 63.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 73.44 110.89 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -63.65 -26.05 68.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 73.34 110.929 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -75.99 -59.07 2.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 65.44 110.93 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.1 t -52.92 -41.24 64.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 62.43 111.133 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.46 ' CG1' HD23 ' A' ' 8' ' ' LEU . 8.2 mm -61.49 -43.87 97.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 64.23 111.165 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -67.75 -13.25 61.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 70.44 110.921 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.02 -24.65 22.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 60.53 110.896 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.5 mm -78.64 -32.51 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 55.34 111.12 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.538 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 1.8 mm -51.77 -57.51 14.45 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.645 0.735 . . . . 63.44 111.132 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.7 Cg_endo -69.76 -34.0 15.47 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.669 2.246 . . . . 72.54 112.332 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.5 t -52.06 -56.23 15.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.279 -0.419 . . . . 74.15 110.908 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.7 m -70.45 -31.87 48.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 61.25 111.126 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.5 tp -62.26 -45.29 93.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 72.21 110.887 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.736 ' CG2' HG22 ' A' ' 45' ' ' VAL . 11.1 mt -64.0 -39.17 84.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 73.41 111.11 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.0 m -55.97 -52.15 65.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 72.52 111.15 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.07 -42.59 69.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 64.03 110.824 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 mp -59.61 -45.35 92.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 72.01 110.915 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.9 -38.55 91.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 64.51 111.118 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.719 HD11 HG22 ' A' ' 118' ' ' VAL . 96.7 mt -62.24 -41.88 93.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 74.31 111.157 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.57 -30.64 70.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 74.21 110.911 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 18.9 t -67.47 -37.21 78.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 75.51 111.116 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -72.27 -26.91 62.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 72.53 110.896 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.47 ' HB3' HD12 ' A' ' 31' ' ' LEU . 0.8 OUTLIER -80.16 -29.45 38.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 75.42 110.927 -179.844 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.47 HD12 ' HB3' ' A' ' 30' ' ' TYR . 3.6 mp -137.54 73.44 48.72 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.636 0.731 . . . . 54.33 110.915 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 162.73 40.93 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.732 2.288 . . . . 74.52 112.328 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.17 162.2 35.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 63.23 110.844 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -95.42 12.26 29.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 74.13 110.864 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 56.9 m -91.61 13.25 18.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 75.11 110.894 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.35 28.71 59.4 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.742 . . . . 73.51 112.539 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -56.88 -35.72 69.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.888 0.375 . . . . 70.3 110.854 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -61.42 -55.94 25.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 74.4 110.903 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 5.6 mtt -56.37 -42.89 78.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 53.12 110.885 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.9 m -64.27 -53.83 42.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.279 -0.419 . . . . 52.54 111.126 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.488 ' CD1' HG23 ' A' ' 45' ' ' VAL . 0.1 OUTLIER -57.52 -42.93 83.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 71.32 110.907 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 39.0 t -52.41 -46.2 66.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 70.21 110.883 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.6 mt -70.18 -39.63 77.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 71.33 111.163 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.3 -50.77 72.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 73.14 110.855 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.736 HG22 ' CG2' ' A' ' 21' ' ' ILE . 9.4 t -53.86 -46.02 63.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 64.12 111.133 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 49.3 tp -71.83 -24.44 61.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 61.55 110.92 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.645 ' O ' HG23 ' A' ' 51' ' ' VAL . 0.3 OUTLIER -59.6 -49.39 77.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 64.41 110.885 179.907 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.33 -54.91 14.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 74.14 111.131 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -53.5 -32.81 51.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 72.31 110.914 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.1 m -71.09 -36.8 72.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.184 -0.462 . . . . 72.4 111.191 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 47' ' ' LEU . 70.0 t -56.4 -56.31 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 62.31 111.162 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.604 ' O ' HD12 ' A' ' 56' ' ' ILE . 5.3 m-85 -68.38 -47.51 67.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 71.45 110.852 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.27 -53.92 37.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 73.02 110.912 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 28.0 tp -55.76 -34.79 65.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 73.14 110.912 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.23 -56.82 12.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 75.11 110.861 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.801 HG23 ' HA ' ' A' ' 60' ' ' VAL . 3.1 mp -79.19 -22.56 12.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 74.23 111.126 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.8 t -52.83 -34.63 54.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 74.02 110.862 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -94.86 -50.07 5.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.084 -0.507 . . . . 73.11 110.881 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 27.5 mm -149.78 133.1 7.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 70.24 111.104 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.801 ' HA ' HG23 ' A' ' 56' ' ' ILE . 3.1 m -51.16 156.28 1.92 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.587 0.708 . . . . 75.52 111.12 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.457 ' HD2' HG11 ' A' ' 70' ' ' VAL . 54.0 Cg_endo -69.75 167.74 23.54 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.648 2.232 . . . . 75.25 112.363 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -8.9 24.77 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.71 2.273 . . . . 63.11 112.327 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 77.2 p -53.71 -50.87 64.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 70.42 111.144 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.0 t -172.02 147.51 2.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 71.31 110.851 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -117.43 -12.99 10.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 74.12 110.869 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -70.6 -59.35 2.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 74.12 110.868 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.2 t -152.18 69.68 7.55 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.659 0.742 . . . . 72.02 110.831 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.504 ' HB2' HG13 ' A' ' 70' ' ' VAL . 53.6 Cg_endo -69.82 166.65 26.95 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.679 2.253 . . . . 62.13 112.322 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 63.0 m -103.12 14.69 31.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 63.14 110.866 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.504 HG13 ' HB2' ' A' ' 68' ' ' PRO . 13.2 m -58.79 -28.0 36.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 71.14 111.147 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -77.74 -33.77 41.22 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.812 -0.708 . . . . 53.24 112.478 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -69.59 -54.76 12.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.839 0.352 . . . . 60.35 110.876 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -62.47 -29.64 70.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 75.32 110.91 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.4 tp -72.93 -36.81 67.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 62.23 110.928 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.84 -58.35 8.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 75.41 110.882 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -64.89 -33.83 76.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 71.13 110.843 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.9 m -55.11 -58.05 9.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 72.54 111.143 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.5 mmt -54.95 -38.71 68.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 61.24 110.879 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 3.7 t -60.74 -43.06 94.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 72.13 111.092 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.1 tp -72.4 -34.35 67.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 73.23 110.887 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.6 t -67.81 -49.08 72.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 73.41 111.155 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 99.0 m -53.41 -44.03 68.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 72.31 111.129 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -57.62 -45.55 85.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 71.42 110.855 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 71.0 m -56.43 -47.11 79.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 65.11 110.86 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 35.8 mm -57.47 -45.48 85.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 74.33 111.11 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 97.3 t -61.39 -26.55 39.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 65.13 111.09 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -79.46 -53.18 7.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 73.32 111.157 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 97.5 p -61.98 -38.55 88.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 65.55 110.866 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 24.7 t -63.83 -44.1 98.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 73.32 111.121 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 2.0 t -58.49 -37.38 75.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 44.35 110.907 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 80.3 t -61.26 -50.82 78.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 71.42 111.108 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.22 -64.39 0.97 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 74.51 110.908 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -120.07 123.27 43.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 63.3 110.914 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.6 p -124.11 156.2 31.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 52.41 111.14 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 -142.23 77.01 1.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 74.23 110.89 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -127.29 37.16 4.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 74.12 110.852 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.6 ppt_? -90.24 151.32 21.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 65.23 110.866 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.2 m -142.93 160.58 52.46 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.672 0.748 . . . . 71.42 110.813 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -32.08 19.11 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.651 2.234 . . . . 64.23 112.338 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -139.84 145.99 38.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 75.45 110.916 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 1.4 t -174.92 86.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 74.05 111.17 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 27.2 m170 -52.07 -31.98 32.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 74.42 110.871 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.49 137.06 37.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 73.23 111.128 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -88.01 -15.57 60.82 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 73.33 112.504 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.98 -176.39 49.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.762 -0.733 . . . . 73.44 112.469 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -166.31 -118.37 0.44 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 54.01 112.492 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -142.52 -164.52 10.16 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.718 -0.753 . . . . 65.12 112.499 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 103.14 -31.83 8.29 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.798 -0.715 . . . . 45.31 112.526 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.26 -35.91 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.793 0.33 . . . . 64.44 111.156 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -62.7 -45.72 91.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 73.01 110.874 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.89 -41.9 75.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 73.05 110.878 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.33 -50.35 73.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 60.03 110.921 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.4 -31.81 66.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 75.1 110.886 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.42 ' CD2' HG23 ' A' ' 26' ' ' ILE . 0.2 OUTLIER -75.54 -47.7 25.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 74.31 110.938 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 22.2 t-105 -53.14 -43.13 66.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 73.02 110.916 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 30.0 pt -74.28 -24.19 18.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 72.31 111.113 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -73.06 -47.76 41.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 62.43 110.882 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.719 HG22 HD11 ' A' ' 26' ' ' ILE . 16.6 t -68.55 -26.06 32.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 64.24 111.113 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -64.65 -58.52 6.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 63.45 110.929 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.3 p -61.49 -24.64 34.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 71.15 111.158 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -77.83 -57.78 3.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 74.31 110.863 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 47.2 t -62.6 -43.4 98.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 52.43 111.121 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -66.6 -38.44 87.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 71.4 110.884 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -71.55 -57.48 5.98 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.762 -0.732 . . . . 64.44 112.438 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 38.4 p -56.74 -63.91 1.05 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.835 0.35 . . . . 73.15 111.14 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 28.8 mm -53.93 -29.53 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 53.22 111.111 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -53.53 -55.37 25.32 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 73.45 112.462 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 11.4 ptp -83.3 -22.75 32.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.838 0.351 . . . . 72.14 110.884 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -74.11 -15.42 61.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 50.02 110.937 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 1.1 tt -83.24 -1.5 53.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 61.23 110.909 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.522 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 3.5 tt0 -65.72 -58.5 11.34 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.612 0.72 . . . . 71.41 110.918 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 131' ' ' GLN . 53.3 Cg_endo -69.84 150.97 68.46 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.657 2.238 . . . . 61.53 112.306 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -66.89 -26.29 66.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 74.44 110.954 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -171.3 -178.03 2.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 75.3 110.914 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -65.05 -29.33 70.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 62.43 110.904 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 59.84 78.06 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 72.32 110.867 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 54.11 110.932 -179.961 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 18.9 m120 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.843 0.354 . . . . 61.21 110.922 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -99.3 97.64 8.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 50.53 111.113 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -121.06 45.34 2.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 71.12 110.874 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.66 109.88 14.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 64.45 110.894 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.512 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.4 tt0 178.52 -59.19 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.65 0.738 . . . . 64.51 110.903 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 54.1 Cg_endo -69.77 -25.55 28.45 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.706 2.271 . . . . 72.01 112.339 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.452 HD21 ' HB3' ' A' ' 132' ' ' PRO . 0.4 OUTLIER -67.33 -15.54 63.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 54.55 110.934 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -62.86 -20.2 64.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 73.34 110.881 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -73.78 -60.99 2.0 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.179 -0.464 . . . . 70.41 110.893 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.3 t -52.98 -37.01 60.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 72.25 111.14 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.427 ' CD1' HD23 ' A' ' 8' ' ' LEU . 27.2 mt -64.73 -42.18 94.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 75.44 111.128 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.18 -11.75 61.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 61.44 110.933 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.91 -27.15 21.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 63.01 110.914 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.6 mm -79.25 -30.69 14.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 73.53 111.102 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.537 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 0.9 OUTLIER -51.74 -57.49 14.5 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.648 0.737 . . . . 72.2 111.168 179.847 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.6 Cg_endo -69.79 -37.8 8.62 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.677 2.252 . . . . 71.52 112.352 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.0 t -52.22 -53.54 42.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 73.24 110.887 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.1 m -75.26 -25.06 17.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 74.04 111.106 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.1 tp -66.03 -56.38 11.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 52.51 110.946 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.768 HG21 HG23 ' A' ' 45' ' ' VAL . 34.9 mt -58.05 -42.77 83.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 63.1 111.095 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.507 HG23 ' CZ ' ' A' ' 117' ' ' PHE . 26.0 m -52.46 -49.94 63.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 70.44 111.14 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.98 -39.29 71.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 74.24 110.91 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.55 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -59.27 -44.8 92.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 63.41 110.908 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.05 -27.45 68.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 61.44 111.103 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 94.7 mt -77.57 -36.44 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 73.11 111.134 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.2 mp -74.74 -32.63 62.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.201 -0.454 . . . . 64.43 110.914 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 24' ' ' LEU . 53.1 t -64.06 -55.31 22.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 70.24 111.181 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -60.54 -30.13 69.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 64.33 110.831 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -76.92 -38.5 53.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 75.32 110.955 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -116.0 71.02 4.0 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.606 0.717 . . . . 44.32 110.91 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 111.28 2.77 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.678 2.252 . . . . 54.4 112.369 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.29 -18.37 18.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 73.04 110.851 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.9 t0 61.17 42.82 11.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 52.21 110.852 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -108.61 3.3 22.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 74.42 110.857 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 96.4 7.65 57.99 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.751 -0.738 . . . . 63.33 112.512 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -64.32 -27.7 69.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.905 0.383 . . . . 60.23 110.876 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.64 -53.22 60.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 72.34 110.914 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 14.8 mtm -62.65 -40.14 96.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 63.54 110.888 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 64.0 m -62.08 -38.92 90.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 64.24 111.107 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.448 ' O ' HG12 ' A' ' 45' ' ' VAL . 19.0 tp -61.1 -45.73 93.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 62.4 110.955 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 52.6 t -55.06 -41.74 71.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 51.12 110.863 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 82.4 mt -74.38 -26.5 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 73.53 111.131 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.1 m -75.63 -56.24 4.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 53.41 110.833 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.768 HG23 HG21 ' A' ' 21' ' ' ILE . 7.8 p -59.7 -28.57 40.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 72.43 111.156 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.81 -29.94 50.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 72.24 110.881 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.3 tp -70.14 -51.48 31.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 73.23 110.923 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.47 -46.74 83.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 72.52 111.107 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.483 HD11 HG21 ' A' ' 77' ' ' THR . 6.4 tp -63.14 -31.11 72.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 61.22 110.893 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 20.6 m -71.71 -34.11 69.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 74.52 111.153 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.3 t -60.79 -61.38 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 74.33 111.134 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.608 ' O ' HD12 ' A' ' 56' ' ' ILE . 5.8 m-85 -62.28 -37.79 86.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 75.11 110.95 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.2 tt -54.23 -58.82 5.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 75.14 110.908 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 17.8 mt -52.39 -33.96 45.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 62.2 110.918 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.09 -58.7 5.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 55.1 110.971 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.824 HG23 ' HA ' ' A' ' 60' ' ' VAL . 3.6 mp -78.56 -22.39 13.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 61.55 111.138 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.8 p -53.12 -33.43 52.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 64.2 110.876 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp -94.98 -50.11 5.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 73.21 110.91 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 56.2 mt -149.35 132.64 7.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 73.13 111.13 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.824 ' HA ' HG23 ' A' ' 56' ' ' ILE . 3.1 m -51.14 156.24 1.91 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.638 0.732 . . . . 44.11 111.125 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.607 ' HD2' HG11 ' A' ' 70' ' ' VAL . 53.8 Cg_endo -69.72 167.73 23.54 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.681 2.254 . . . . 73.35 112.348 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -8.99 25.02 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.724 2.283 . . . . 73.41 112.365 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.65 -22.52 22.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 73.24 111.11 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 28.8 t -55.26 125.58 21.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 64.11 110.853 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.3 p -178.24 114.9 0.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 61.12 110.837 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 58.81 91.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 53.34 110.84 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 m 60.14 72.26 0.77 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.665 0.745 . . . . 64.22 110.874 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.68 ' HB2' HG22 ' A' ' 70' ' ' VAL . 54.1 Cg_endo -69.73 148.99 66.48 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.7 2.267 . . . . 61.21 112.375 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.4 m -86.26 -8.28 57.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 74.41 110.834 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.68 HG22 ' HB2' ' A' ' 68' ' ' PRO . 36.0 m -54.25 -33.89 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 61.22 111.13 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -70.69 -60.38 4.66 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.728 -0.749 . . . . 42.01 112.495 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -54.3 -43.69 71.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.86 0.362 . . . . 71.23 110.851 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -52.25 -51.67 57.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 74.51 110.885 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.93 -33.19 75.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 74.12 110.903 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -60.46 3.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 51.44 110.923 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -65.13 -27.42 68.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 73.41 110.87 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.483 HG21 HD11 ' A' ' 49' ' ' LEU . 2.2 m -61.7 -52.49 64.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 73.4 111.115 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 10.3 mmt -60.38 -43.55 96.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 73.12 110.866 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 3.9 t -52.37 -53.53 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 75.44 111.125 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.444 HD11 HG21 ' A' ' 120' ' ' VAL . 1.1 mp -68.4 -43.55 77.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 62.15 110.888 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.5 t -53.05 -41.38 41.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 74.55 111.142 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 26.9 m -63.17 -44.6 95.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 65.51 111.14 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -62.22 -40.7 96.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 71.34 110.893 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.89 -55.13 36.68 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.121 -0.49 . . . . 73.53 110.851 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 19.7 mm -53.57 -38.39 33.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 63.34 111.095 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 15.1 t -58.53 -43.72 87.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 74.0 111.13 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.6 m -74.4 -23.04 58.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 72.12 111.133 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.8 t -65.7 -53.44 40.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 72.11 110.85 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 5.3 p -69.92 -24.15 26.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 71.41 111.14 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.79 -55.45 6.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 73.55 110.841 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -66.54 -19.21 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 45.53 111.137 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 60.1 tp -74.12 -56.0 5.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 75.42 110.931 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 22.9 t30 -172.26 125.74 0.53 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 63.43 110.891 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.3 p -159.93 149.09 6.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 73.44 111.119 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -165.93 -49.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 74.21 110.805 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -127.96 86.67 2.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 74.44 110.842 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.8 ttm-85 -145.78 24.39 1.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 72.3 110.903 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.16 160.55 36.95 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.702 0.763 . . . . 73.22 110.833 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -47.22 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.657 2.238 . . . . 62.51 112.34 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -101.7 143.32 31.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.43 . . . . 71.52 110.902 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 76.8 p -82.63 98.55 9.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 74.12 111.131 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -129.49 98.6 4.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 73.32 110.87 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -139.14 166.74 23.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 75.15 111.156 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 82.74 76.23 1.13 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.753 . . . . 72.03 112.46 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -93.98 -157.87 33.31 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.747 -0.74 . . . . 24.45 112.495 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -69.36 -168.46 5.97 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.807 -0.711 . . . . 74.41 112.491 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -108.15 -15.91 13.42 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.746 . . . . 70.55 112.466 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -101.46 15.76 57.15 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.739 . . . . 70.51 112.502 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.21 -35.97 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.842 0.353 . . . . 72.3 111.168 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -62.35 -57.05 12.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 63.44 110.886 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -23.77 67.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 73.22 110.855 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.91 -54.56 12.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.483 . . . . 72.24 110.922 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -61.32 -25.78 67.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 73.14 110.872 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.626 ' O ' HG23 ' A' ' 118' ' ' VAL . 1.3 mm? -75.57 -50.98 13.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 63.21 110.923 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 20.0 t90 -53.83 -48.26 70.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 72.33 110.919 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 31.8 pt -68.48 -26.56 33.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 71.54 111.173 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.507 ' CZ ' HG23 ' A' ' 22' ' ' THR . 11.8 t80 -76.33 -34.38 58.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 75.15 110.862 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 114' ' ' LEU . 46.5 t -76.02 -29.94 20.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 74.33 111.113 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.06 -45.21 70.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 60.2 110.869 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.444 HG21 HD11 ' A' ' 80' ' ' LEU . 7.7 p -67.54 -31.81 54.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 55.34 111.102 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -80.49 -20.93 42.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 63.23 110.883 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 118' ' ' VAL . 3.4 t -83.07 -55.25 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 72.12 111.088 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -59.81 -48.92 79.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 63.13 110.869 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -60.05 -52.82 50.49 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.753 -0.737 . . . . 51.5 112.51 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 21.2 m -55.17 -54.65 40.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.737 0.303 . . . . 63.03 111.148 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.457 HG22 HD12 ' A' ' 130' ' ' LEU . 40.9 mt -57.36 -33.27 43.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 54.43 111.144 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -54.68 -57.51 17.42 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.721 -0.752 . . . . 52.25 112.49 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 16.6 ptp -76.61 -21.63 55.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.841 0.353 . . . . 61.13 110.89 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -77.42 -15.25 59.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 72.44 110.91 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.457 HD12 HG22 ' A' ' 126' ' ' ILE . 0.4 OUTLIER -84.15 -3.89 58.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 72.14 110.94 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.523 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 3.0 tt0 -62.32 -58.5 17.01 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.557 0.694 . . . . 75.04 110.893 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 131' ' ' GLN . 54.6 Cg_endo -69.65 150.97 69.54 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.683 2.255 . . . . 71.34 112.39 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -66.98 -26.3 66.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 63.24 110.891 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -173.07 -179.21 1.95 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 75.14 110.89 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -63.4 -24.71 67.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 73.22 110.911 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 56.78 77.55 0.25 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 74.42 110.906 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 43.02 110.888 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.8 p30 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.868 0.366 . . . . 74.21 110.845 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -130.27 63.11 1.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 72.12 111.087 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -106.78 38.98 1.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 71.02 110.912 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 60.91 94.87 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 74.11 110.901 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.517 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 3.8 tt0 178.55 -59.17 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.625 0.726 . . . . 62.54 110.904 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.9 Cg_endo -69.78 -22.93 31.3 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.7 2.267 . . . . 74.44 112.32 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.506 HD13 ' O ' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -71.73 -38.89 70.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 71.51 110.897 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.12 -26.92 60.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 74.31 110.897 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -60.9 -60.97 2.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 71.24 110.923 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.727 ' O ' HD12 ' A' ' 15' ' ' ILE . 4.6 t -52.83 -39.78 62.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 70.51 111.17 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.3 mt -63.44 -41.37 92.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 62.24 111.159 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -69.6 -13.97 62.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 74.34 110.857 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -88.95 -24.95 22.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 74.32 110.88 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.727 HD12 ' O ' ' A' ' 11' ' ' THR . 1.4 mp -78.79 -32.13 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 62.14 111.139 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.535 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 2.6 mt -51.73 -57.52 14.36 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.62 0.724 . . . . 71.44 111.125 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.7 Cg_endo -69.78 -35.0 13.39 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.65 2.234 . . . . 72.43 112.353 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.7 t -53.2 -57.99 8.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 75.25 110.941 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.8 t -72.98 -43.14 59.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 74.14 111.123 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.2 tt -52.16 -56.41 14.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 51.43 110.91 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.41 HG12 HG13 ' A' ' 45' ' ' VAL . 8.3 mt -51.86 -50.77 31.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 72.41 111.119 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.534 HG23 ' CZ ' ' A' ' 117' ' ' PHE . 80.7 m -53.33 -55.26 26.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 75.12 111.175 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.1 -49.69 63.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 72.32 110.858 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.424 HD22 HD21 ' A' ' 41' ' ' LEU . 3.1 mt -54.84 -36.96 65.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 72.2 110.895 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.96 -25.94 60.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 63.15 111.117 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.428 ' HA ' HD11 ' A' ' 114' ' ' LEU . 94.1 mt -78.06 -53.92 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 75.4 111.113 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.2 mp -53.86 -47.46 70.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 63.44 110.915 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.629 HG21 ' HG ' ' A' ' 41' ' ' LEU . 14.7 t -57.9 -50.48 77.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 74.41 111.132 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.677 ' CD2' HD21 ' A' ' 114' ' ' LEU . 0.1 OUTLIER -57.18 -40.39 77.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 75.0 110.875 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -76.03 -10.52 59.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.157 -0.474 . . . . 74.22 110.936 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 mp -139.46 72.04 37.76 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.598 0.713 . . . . 75.41 110.945 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 130.24 19.06 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.73 2.286 . . . . 65.43 112.349 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.95 179.03 4.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 75.22 110.87 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -126.51 19.01 7.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 73.22 110.854 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.1 m -107.6 -12.9 15.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 63.13 110.882 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 111.92 11.1 17.19 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.742 -0.742 . . . . 63.11 112.485 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.22 -33.95 59.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.924 0.392 . . . . 45.11 110.871 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.6 mmmt -56.34 -56.31 22.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 75.42 110.894 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.2 ttt -56.56 -47.85 78.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 74.21 110.888 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 63.0 m -54.85 -28.28 48.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 73.54 111.111 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.629 ' HG ' HG21 ' A' ' 28' ' ' VAL . 0.3 OUTLIER -73.42 -40.88 63.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 44.35 110.944 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 36.8 t -60.3 -45.2 94.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 74.33 110.873 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 3.6 mt -72.84 -26.31 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 74.1 111.129 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.3 t -72.2 -55.23 7.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 51.24 110.835 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.41 HG13 HG12 ' A' ' 21' ' ' ILE . 5.9 t -56.98 -36.41 50.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 72.43 111.102 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.2 tt -69.97 -37.55 75.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 64.53 110.938 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.22 -53.05 56.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 73.5 110.92 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.07 -46.07 82.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 62.23 111.078 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.529 HD21 HG21 ' A' ' 77' ' ' THR . 0.3 OUTLIER -59.92 -28.22 67.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 72.12 110.9 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.5 m -69.66 -45.66 67.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 45.4 111.142 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 57.9 t -52.49 -57.84 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 74.55 111.139 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.66 ' O ' HD12 ' A' ' 56' ' ' ILE . 27.9 m-85 -63.11 -37.27 86.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 75.0 110.858 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.0 mt -51.85 -58.97 4.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 74.31 110.9 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.7 mt -55.92 -33.8 65.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 72.33 110.86 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 tt -51.71 -63.61 1.08 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.243 -0.435 . . . . 64.03 110.874 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.66 HD12 ' O ' ' A' ' 52' ' ' PHE . 1.8 mp -74.46 -25.56 19.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 71.53 111.1 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 26.5 t -51.97 -30.12 23.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 73.51 110.89 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -93.97 -50.18 5.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 63.21 110.864 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 56.1 mt -149.7 133.2 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 54.02 111.127 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.606 ' HA ' HG23 ' A' ' 56' ' ' ILE . 0.9 OUTLIER -88.66 154.93 50.84 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.631 0.729 . . . . 73.4 111.132 179.853 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.402 ' O ' HG23 ' A' ' 60' ' ' VAL . 53.4 Cg_endo -69.79 167.76 23.55 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.716 2.277 . . . . 73.32 112.291 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -10.28 28.16 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.688 2.259 . . . . 72.32 112.331 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.505 HG23 ' HB2' ' A' ' 7' ' ' PRO . 0.5 OUTLIER -74.61 80.15 1.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 65.33 111.159 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.7 t -166.76 79.66 0.22 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.192 -0.458 . . . . 72.12 110.809 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 m -122.0 -67.97 0.92 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 70.11 110.825 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -82.0 -47.97 12.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 73.33 110.856 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -137.6 160.63 64.34 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.653 0.74 . . . . 73.53 110.858 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -179.37 2.88 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.68 2.253 . . . . 75.41 112.341 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.4 m -143.68 -68.69 0.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 70.51 110.879 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.594 HG21 HG21 ' A' ' 56' ' ' ILE . 4.4 p -55.81 -32.91 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 73.5 111.072 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -76.53 -42.9 20.93 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.775 -0.726 . . . . 73.44 112.43 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -60.19 -38.83 84.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.85 0.357 . . . . 74.42 110.842 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -72.01 -43.04 65.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.172 -0.467 . . . . 75.14 110.906 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.49 -29.67 69.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 65.44 110.89 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.18 -55.75 22.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 52.43 110.859 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -70.88 -25.49 62.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 73.44 110.849 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.529 HG21 HD21 ' A' ' 49' ' ' LEU . 2.6 m -72.91 -48.48 36.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 75.31 111.143 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.83 -38.9 89.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 73.02 110.872 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 15.2 t -57.92 -57.27 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 75.02 111.121 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.47 -46.92 88.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 74.21 110.89 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.6 t -51.95 -47.38 41.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 72.12 111.107 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.5 m -56.33 -50.43 71.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 63.11 111.153 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.26 -33.99 77.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 72.34 110.927 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.39 -51.66 62.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 73.01 110.843 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 10.1 mm -52.65 -42.89 42.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.475 . . . . 75.32 111.128 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 25.3 t -55.5 -45.1 78.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 72.14 111.097 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.67 ' O ' HG23 ' A' ' 91' ' ' VAL . 0.2 OUTLIER -72.81 -25.65 61.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 75.42 111.117 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.45 -41.99 92.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 73.22 110.867 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 27.4 t -71.82 -40.91 69.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 72.41 111.074 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 7.9 t -57.98 -35.15 70.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 71.41 110.879 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 87' ' ' THR . 85.3 t -73.57 -42.52 55.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 74.42 111.107 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.4 mt -66.92 -61.83 1.75 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 64.45 110.877 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -130.14 142.89 50.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 62.25 110.925 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 13.2 p -161.78 146.86 4.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 72.51 111.127 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -172.47 132.59 0.61 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 62.12 110.836 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -112.57 146.04 39.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.451 . . . . 72.21 110.838 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -141.83 114.55 8.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 72.41 110.889 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.31 160.53 57.01 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.663 0.744 . . . . 63.23 110.855 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 -34.25 15.22 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.706 2.271 . . . . 65.41 112.343 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -110.79 156.61 20.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 74.4 110.878 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -88.37 155.47 19.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 75.15 111.098 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -147.74 160.08 43.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 73.15 110.841 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 17.0 p -131.07 164.11 26.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 74.45 111.101 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -161.77 -172.46 29.19 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.705 -0.76 . . . . 53.43 112.486 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -177.03 140.57 4.97 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.754 -0.736 . . . . 65.35 112.477 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 158.02 -76.61 0.2 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.734 -0.746 . . . . 63.53 112.505 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 61.3 23.58 62.42 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 21.22 112.468 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -112.38 -0.61 26.45 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.75 -0.738 . . . . 75.34 112.497 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.17 -35.99 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.857 0.36 . . . . 64.34 111.108 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -54.19 -59.88 4.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 72.34 110.893 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 1.7 mtm-85 -59.86 -24.65 64.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 71.1 110.877 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.12 -60.36 2.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 72.03 110.861 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -58.75 -29.57 66.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 74.11 110.864 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.677 HD21 ' CD2' ' A' ' 29' ' ' PHE . 1.9 mm? -69.24 -51.06 41.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 75.33 110.963 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 56.1 t-105 -52.93 -58.06 8.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 75.25 110.974 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 25.9 pt -58.14 -25.69 27.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 73.12 111.128 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.534 ' CZ ' HG23 ' A' ' 22' ' ' THR . 9.8 t80 -78.39 -32.26 48.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 72.12 110.86 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 114' ' ' LEU . 64.5 t -72.77 -30.58 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 64.31 111.146 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -72.34 -54.31 9.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.478 . . . . 71.31 110.891 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 4.5 p -55.16 -31.76 26.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 75.33 111.118 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -73.26 -34.21 65.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 74.24 110.866 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 118' ' ' VAL . 29.9 t -69.26 -46.94 76.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 65.12 111.088 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -74.74 -41.51 59.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 61.24 110.866 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -59.77 -51.1 61.03 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.792 -0.718 . . . . 73.43 112.47 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 94.7 m -61.96 -44.84 95.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.794 0.33 . . . . 54.51 111.168 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.425 HG22 HD12 ' A' ' 130' ' ' LEU . 52.7 mt -59.79 -32.61 50.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 62.24 111.154 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -64.06 -55.7 22.6 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.752 -0.737 . . . . 54.1 112.48 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 24.1 ptp -72.98 -20.51 61.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.77 0.319 . . . . 74.31 110.886 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -81.45 -19.27 42.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 70.21 110.894 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.425 HD12 HG22 ' A' ' 126' ' ' ILE . 0.2 OUTLIER -81.43 -12.13 59.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.121 -0.49 . . . . 62.11 110.921 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.53 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 1.9 tt0 -57.97 -58.5 18.16 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.63 0.729 . . . . 73.45 110.892 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 131' ' ' GLN . 53.9 Cg_endo -69.7 150.96 69.24 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.735 2.29 . . . . 74.12 112.333 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -66.96 -26.29 66.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 73.41 110.939 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -175.25 178.25 1.73 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 73.33 110.92 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -58.33 -34.67 70.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 73.3 110.954 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 55.26 90.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 72.11 110.888 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 65.34 110.847 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.833 0.349 . . . . 71.3 110.887 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -137.43 175.35 9.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 52.41 111.067 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -106.0 5.27 30.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 74.52 110.857 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -113.61 -21.0 11.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 73.31 110.908 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.523 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 4.5 tt0 -54.43 -58.41 14.12 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.67 0.748 . . . . 75.11 110.908 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.9 Cg_endo -69.78 -38.93 7.08 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.695 2.263 . . . . 64.34 112.328 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.05 -15.51 62.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 75.12 110.935 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -63.25 -26.73 68.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 72.34 110.864 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -76.49 -59.31 2.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 62.33 110.944 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.8 t -51.85 -41.6 61.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.5 . . . . 62.02 111.169 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.4 mm -61.0 -44.51 98.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 62.32 111.13 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -66.64 -13.96 61.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 54.21 110.882 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.97 -23.72 22.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.481 . . . . 63.42 110.89 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.574 HG21 ' CD1' ' A' ' 129' ' ' PHE . 47.5 mm -78.5 -33.09 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 72.21 111.101 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.539 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 1.1 mt -51.87 -57.45 14.81 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.607 0.718 . . . . 73.11 111.135 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.539 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.6 Cg_endo -69.74 -33.21 17.12 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.706 2.271 . . . . 75.42 112.344 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.8 t -54.13 -58.45 7.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 51.52 110.896 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.7 ' CG1' HG21 ' A' ' 125' ' ' THR . 26.8 m -72.45 -34.79 49.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 72.02 111.122 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.444 ' O ' HD23 ' A' ' 24' ' ' LEU . 16.0 tp -58.32 -47.19 84.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 62.23 110.917 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.65 HG21 HG23 ' A' ' 45' ' ' VAL . 49.9 mt -73.76 -52.36 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 74.21 111.126 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.506 HG22 HD11 ' A' ' 26' ' ' ILE . 39.4 m -52.74 -56.11 17.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 74.2 111.165 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.3 t -52.18 -40.77 61.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 64.2 110.895 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.444 HD23 ' O ' ' A' ' 20' ' ' LEU . 0.9 OUTLIER -60.31 -38.08 82.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 63.21 110.892 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.01 -30.64 61.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 60.13 111.13 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.506 HD11 HG22 ' A' ' 22' ' ' THR . 42.2 mt -76.67 -40.69 33.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 62.41 111.108 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -69.42 -24.66 63.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 64.44 110.917 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.5 t -76.55 -44.88 34.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 61.01 111.136 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.41 -40.55 94.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 73.33 110.877 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -81.27 -50.07 9.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.174 -0.466 . . . . 71.14 110.939 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.71 70.44 9.48 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.643 0.735 . . . . 45.41 110.904 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 137.88 36.48 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.646 2.23 . . . . 75.12 112.35 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.6 t -106.74 -13.24 15.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 43.53 110.878 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -145.01 -170.14 3.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 75.2 110.908 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -108.74 -23.64 11.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 72.12 110.875 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -107.73 17.43 35.98 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.741 . . . . 61.25 112.496 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.07 -21.08 59.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.938 0.399 . . . . 73.1 110.903 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -69.51 -59.06 3.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 74.32 110.926 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.2 -41.79 76.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 70.22 110.889 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.3 m -58.58 -34.61 71.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 71.04 111.088 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.4 HD21 ' HB3' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -68.1 -48.54 65.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 70.13 110.919 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.526 ' O ' HD12 ' A' ' 46' ' ' LEU . 0.5 OUTLIER -55.68 -34.36 64.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 53.14 110.888 179.908 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 14.6 mt -78.14 -34.83 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 75.05 111.132 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.0 t -70.97 -45.74 63.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 71.3 110.845 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.65 HG23 HG21 ' A' ' 21' ' ' ILE . 11.2 p -65.53 -30.79 51.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 44.45 111.173 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.526 HD12 ' O ' ' A' ' 42' ' ' CYS . 2.8 mt -73.18 -33.43 65.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 72.43 110.937 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.5 tt -68.89 -56.11 8.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 63.21 110.874 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.71 -49.38 76.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 34.3 111.125 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.466 HD22 HG21 ' A' ' 81' ' ' VAL . 32.2 tp -60.32 -37.22 79.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 54.32 110.925 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.7 m -61.58 -39.63 91.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 74.4 111.145 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 50.5 t -57.94 -60.54 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 72.31 111.123 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.547 ' O ' HD12 ' A' ' 56' ' ' ILE . 1.3 m-85 -61.48 -45.34 94.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 72.15 110.881 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.43 -41.85 73.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 70.14 110.873 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.1 tt -61.05 -35.87 78.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 54.24 110.929 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.92 -61.92 2.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 71.22 110.894 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.547 HD12 ' O ' ' A' ' 52' ' ' PHE . 3.5 mp -63.8 -27.35 42.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 63.44 111.089 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.3 t -57.67 -52.98 63.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 63.02 110.852 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.07 -21.66 63.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 73.4 110.899 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 19.5 mt 66.13 149.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.281 -0.418 . . . . 61.0 111.115 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -148.65 159.62 37.92 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.623 0.725 . . . . 62.53 111.105 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 167.77 23.48 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.665 2.244 . . . . 75.22 112.34 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -49.73 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.691 2.261 . . . . 53.11 112.312 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 52.32 28.28 5.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 74.01 111.126 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.98 -171.13 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 72.3 110.87 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.06 107.86 12.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 63.44 110.859 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.0 p30 -179.13 -177.66 0.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 70.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.1 t -145.23 69.1 14.03 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.637 0.732 . . . . 72.43 110.84 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -44.79 1.84 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.635 2.223 . . . . 71.11 112.336 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.6 m 63.01 89.91 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 42.4 110.865 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.405 HG21 HG23 ' A' ' 56' ' ' ILE . 33.9 m -75.69 -27.79 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 41.51 111.15 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -63.06 -29.13 73.42 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.692 -0.766 . . . . 70.4 112.476 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.59 -62.43 1.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.901 0.381 . . . . 75.01 110.931 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -67.11 -25.48 66.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 73.34 110.915 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.7 tp -69.23 -45.0 70.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.475 . . . . 63.23 110.968 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 45.0 ttp -57.63 -51.51 69.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 75.33 110.876 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -63.1 -25.31 68.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 71.32 110.907 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.7 m -76.9 -50.92 12.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 74.44 111.127 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.5 ttm -58.46 -37.47 75.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 74.34 110.888 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 4.3 t -61.52 -62.08 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 60.51 111.139 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.86 -49.48 76.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 54.31 110.945 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.466 HG21 HD22 ' A' ' 49' ' ' LEU . 4.9 t -55.88 -45.56 79.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 64.44 111.085 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.58 ' O ' HG23 ' A' ' 86' ' ' VAL . 2.9 m -56.89 -37.6 71.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 73.24 111.138 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -65.51 -44.28 87.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 72.34 110.915 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.96 -48.86 69.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.5 . . . . 44.41 110.891 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 8.8 mm -57.39 -40.69 75.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 72.22 111.171 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 82' ' ' THR . 17.5 t -56.2 -42.24 72.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.492 . . . . 75.44 111.131 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -38.23 81.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 72.21 111.169 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.7 t -56.34 -57.37 12.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 74.21 110.895 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 83.2 t -63.18 -26.58 41.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 74.41 111.12 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.26 -30.78 70.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 64.15 110.916 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 91.2 t -82.66 -32.45 10.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 70.52 111.109 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.1 tp -76.6 -62.49 1.61 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 73.44 110.911 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 61.0 m-20 -110.81 166.26 11.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 52.43 110.908 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.6 p -116.86 139.58 43.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 73.43 111.14 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -163.63 118.3 1.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 74.14 110.863 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 25.1 m80 -137.26 129.28 29.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 75.21 110.846 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.7 mtm180 -83.08 99.83 10.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 61.43 110.888 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.2 p -171.11 160.58 5.4 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.67 0.748 . . . . 75.14 110.878 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -42.49 3.4 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.705 2.27 . . . . 75.23 112.347 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -133.22 155.41 49.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 63.15 110.871 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 77.1 p -98.69 164.01 12.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 51.15 111.124 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 15.5 t-160 -127.31 -73.74 0.6 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 71.31 110.844 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 22.2 p -138.41 177.9 7.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 74.1 111.12 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -94.42 -63.42 1.02 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.782 -0.723 . . . . 64.32 112.509 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 93.85 66.65 1.05 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.791 -0.719 . . . . 70.35 112.516 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -110.61 53.21 0.59 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 53.4 112.494 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -98.95 -135.47 8.92 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.716 -0.754 . . . . 72.15 112.486 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -101.8 15.53 56.87 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 20.45 112.511 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.24 -35.99 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.827 0.346 . . . . 74.3 111.115 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -52.99 -44.25 67.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 74.51 110.856 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -51.5 69.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 74.22 110.878 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.1 mp -53.5 -34.08 56.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 63.11 110.886 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -72.11 -29.9 64.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 62.44 110.89 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.713 ' O ' HG23 ' A' ' 118' ' ' VAL . 0.1 OUTLIER -71.95 -46.65 56.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.499 . . . . 74.3 110.908 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -53.17 -55.78 21.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 74.03 110.885 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 23.2 pt -60.84 -29.98 46.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 72.33 111.142 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -75.74 -26.65 57.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 65.42 110.859 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 114' ' ' LEU . 94.7 t -81.07 -37.72 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 75.44 111.072 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -67.36 -31.58 71.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 72.04 110.889 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 10.4 p -81.62 -34.07 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 64.55 111.107 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.3 -20.68 40.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 73.12 110.86 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.9 t -83.93 -55.71 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 73.51 111.12 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -57.02 -42.2 79.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 65.32 110.861 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -70.07 -58.44 6.16 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 64.22 112.486 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.7 HG21 ' CG1' ' A' ' 19' ' ' VAL . 99.7 m -57.28 -60.25 3.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.743 0.306 . . . . 71.33 111.1 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 40.2 mm -54.53 -26.82 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 73.14 111.132 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -58.12 -60.15 9.49 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.741 . . . . 52.34 112.504 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 10.0 ptt? -81.69 -23.46 36.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.778 0.323 . . . . 71.25 110.892 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.574 ' CD1' HG21 ' A' ' 15' ' ' ILE . 64.2 t80 -72.12 -14.0 61.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 73.43 110.874 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 1.3 mt -79.21 -19.2 51.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 64.54 110.887 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.52 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 0.8 OUTLIER -51.27 -58.58 10.13 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.594 0.711 . . . . 54.24 110.923 179.903 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 131' ' ' GLN . 53.5 Cg_endo -69.83 150.98 68.52 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.672 2.248 . . . . 71.35 112.318 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -66.89 -26.37 66.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 74.1 110.879 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -173.05 -179.06 1.92 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 63.11 110.869 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -73.15 -17.95 61.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 64.11 110.916 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 56.21 85.12 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 71.5 110.859 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 71.34 110.9 -179.939 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.828 0.347 . . . . 65.14 110.845 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -123.83 98.35 5.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 74.11 111.078 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -98.45 27.79 4.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 54.53 110.882 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -114.1 22.0 14.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.483 . . . . 75.32 110.851 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.526 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 3.7 tt0 -61.32 -58.37 19.23 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.597 0.713 . . . . 73.11 110.924 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.2 Cg_endo -69.74 -26.92 27.18 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.66 2.24 . . . . 63.42 112.346 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.01 -21.9 43.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 64.4 110.946 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -77.26 -30.28 54.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 53.45 110.857 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -65.04 -58.71 5.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 73.23 110.941 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.0 t -52.72 -39.51 62.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 44.14 111.164 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.7 mm -62.19 -43.3 97.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 72.02 111.092 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -68.19 -13.35 62.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 75.11 110.865 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -88.96 -25.2 22.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 72.51 110.908 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.441 ' O ' HG23 ' A' ' 19' ' ' VAL . 47.8 mm -78.97 -31.35 14.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 70.0 111.149 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.545 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 1.6 mt -52.37 -57.49 15.26 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.617 0.722 . . . . 74.33 111.121 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.545 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.8 Cg_endo -69.71 -35.31 13.03 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.677 2.251 . . . . 75.42 112.395 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 39.9 t -55.68 -57.41 12.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 74.13 110.878 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.491 HG22 HG21 ' A' ' 125' ' ' THR . 17.6 t -65.25 -31.66 54.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 61.03 111.116 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.91 -35.34 78.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 74.24 110.919 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.666 HG21 HG23 ' A' ' 45' ' ' VAL . 11.4 mt -64.65 -42.21 94.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 74.24 111.147 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.2 m -59.16 -47.18 86.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 64.15 111.178 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.67 -45.43 66.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 72.32 110.882 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -52.06 -53.33 43.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 74.5 110.903 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.38 -43.94 84.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 72.21 111.111 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.621 HD11 HG22 ' A' ' 118' ' ' VAL . 60.9 mt -60.91 -43.5 95.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 73.44 111.124 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.1 -28.81 69.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 72.31 110.912 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 20.3 t -73.85 -40.03 52.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 75.44 111.15 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -70.47 -37.21 74.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 74.22 110.899 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.4 ' HB3' HD12 ' A' ' 31' ' ' LEU . 5.8 m-85 -80.42 -24.37 39.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 72.43 110.883 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.4 HD12 ' HB3' ' A' ' 30' ' ' TYR . 4.9 mp -142.04 71.91 23.16 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.61 0.719 . . . . 53.42 110.944 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 161.29 46.5 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.723 2.282 . . . . 72.51 112.338 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -120.3 -171.89 2.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 62.54 110.882 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -101.49 -18.79 15.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 74.13 110.873 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.56 -18.41 59.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 64.03 110.885 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 92.84 56.9 1.46 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.7 -0.762 . . . . 74.54 112.514 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -63.1 -19.53 64.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.897 0.379 . . . . 55.32 110.857 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.49 -47.51 83.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 72.13 110.89 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.72 -35.12 62.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 62.14 110.875 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.66 -31.52 72.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.425 . . . . 43.15 111.166 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.725 ' O ' HG12 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -73.03 -46.94 49.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 74.3 110.925 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.8 t -56.24 -38.83 71.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 65.24 110.912 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 18.2 mt -72.12 -33.32 46.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 60.1 111.11 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.9 t -73.29 -60.17 2.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.458 . . . . 73.12 110.839 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.725 HG12 ' O ' ' A' ' 41' ' ' LEU . 3.8 p -52.29 -30.44 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 75.31 111.129 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.6 tt -70.76 -46.69 62.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 74.15 110.902 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.567 ' O ' HG23 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -57.3 -36.92 71.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 75.02 110.9 179.902 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.6 -47.61 84.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 74.23 111.051 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.1 tp -54.23 -46.86 72.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 72.53 110.897 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.53 -35.35 80.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 63.42 111.13 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 47' ' ' LEU . 43.3 t -62.39 -39.67 85.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.43 . . . . 73.21 111.127 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -66.29 -42.74 87.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 72.44 110.885 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.97 -50.63 66.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 75.52 110.925 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.11 -28.63 68.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 75.23 110.941 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.74 -56.07 23.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 61.31 110.888 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.569 HG21 HG11 ' A' ' 70' ' ' VAL . 2.2 mp -67.82 -36.5 76.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 71.21 111.136 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.65 -48.09 66.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 73.32 110.893 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.98 -21.49 37.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.092 -0.504 . . . . 73.31 110.888 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.809 HG22 ' HD3' ' A' ' 61' ' ' PRO . 18.9 mt 65.91 111.77 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 51.44 111.139 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.7 t -119.18 73.04 13.31 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.636 0.731 . . . . 61.05 111.158 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.809 ' HD3' HG22 ' A' ' 59' ' ' ILE . 54.1 Cg_endo -69.68 167.79 23.33 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.696 2.264 . . . . 63.54 112.375 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 -32.89 17.27 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.678 2.252 . . . . 71.41 112.318 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.6 t -161.78 31.02 0.13 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.232 -0.44 . . . . 73.1 111.105 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.8 t 62.93 103.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 42.24 110.86 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.2 t -160.68 -72.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 44.42 110.888 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -169.97 177.14 4.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 73.02 110.847 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -159.29 160.55 28.43 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.674 0.75 . . . . 74.2 110.83 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 179.42 3.69 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.697 2.265 . . . . 64.45 112.369 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.04 103.17 15.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 75.2 110.84 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.569 HG11 HG21 ' A' ' 56' ' ' ILE . 5.4 p -61.71 -19.34 20.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 73.45 111.139 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -57.98 -34.74 73.22 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 74.41 112.46 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -63.76 -65.88 0.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 44.13 110.855 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -57.03 -43.94 82.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 73.32 110.898 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 19.8 tp -56.0 -41.9 75.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 54.42 110.932 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 29.1 ttp -54.23 -48.71 70.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 73.34 110.853 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -72.96 -32.06 64.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 74.32 110.878 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.3 m -62.04 -56.05 22.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 62.0 111.125 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.2 mmt -55.32 -41.71 72.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 70.51 110.913 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 3.6 t -54.29 -61.53 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 74.12 111.102 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.48 -42.52 92.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 62.51 110.9 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.8 t -56.48 -44.1 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 71.41 111.135 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 m -58.12 -43.35 87.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 54.42 111.131 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -65.32 -28.53 69.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 74.44 110.896 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.1 m -73.03 -49.28 29.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 75.31 110.802 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.472 ' O ' HG23 ' A' ' 89' ' ' VAL . 40.8 mm -63.93 -36.69 77.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 74.13 111.101 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 3.6 t -57.9 -54.55 30.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 71.34 111.155 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 91.0 m -66.41 -39.33 88.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 71.03 111.141 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.2 m -58.35 -44.23 88.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 73.44 110.83 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 85' ' ' ILE . 78.3 t -70.23 -29.92 41.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 52.53 111.127 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.58 -30.06 56.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 74.22 110.903 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 52.6 t -80.32 -36.79 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 65.13 111.126 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.66 -17.21 64.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 34.4 110.94 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -64.87 -56.36 13.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 75.02 110.919 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -177.19 157.57 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 40.21 111.104 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -166.51 61.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 64.21 110.848 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -152.28 -54.36 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 74.2 110.831 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -128.94 128.79 44.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.437 . . . . 75.3 110.83 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.68 160.56 47.05 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.679 0.752 . . . . 73.32 110.833 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -40.15 5.63 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.672 2.248 . . . . 74.32 112.357 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.93 136.77 54.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 75.12 110.918 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 11.6 t -155.69 144.81 20.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 43.41 111.101 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 7.3 m80 -124.01 56.66 1.23 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 72.41 110.89 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.16 -176.82 4.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 70.35 111.135 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 169.64 41.42 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.692 -0.766 . . . . 54.13 112.479 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -174.42 -69.0 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.703 -0.76 . . . . 61.03 112.452 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -144.11 171.53 25.57 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.746 . . . . 60.33 112.486 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -73.32 95.83 0.78 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.712 -0.756 . . . . 53.31 112.515 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -90.77 -38.14 6.22 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.752 -0.737 . . . . 73.55 112.457 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.18 -36.01 16.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.86 0.362 . . . . 72.32 111.162 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -71.52 -58.01 3.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 74.53 110.864 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -52.27 -34.32 45.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 75.24 110.914 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.7 tp -60.63 -59.38 5.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 71.41 110.901 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.01 -24.56 67.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 65.41 110.897 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.404 ' O ' HG23 ' A' ' 118' ' ' VAL . 0.3 OUTLIER -67.92 -44.93 75.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 54.41 110.929 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -79.59 -42.13 25.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 64.25 110.961 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 1.1 tt -56.31 -24.67 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 65.55 111.142 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -81.08 -59.2 2.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 72.1 110.885 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.621 HG22 HD11 ' A' ' 26' ' ' ILE . 37.3 t -52.79 -28.74 13.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 75.4 111.147 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -70.32 -57.08 5.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 74.03 110.875 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 11.1 p -64.45 -25.63 38.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.109 -0.496 . . . . 71.43 111.104 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 62.8 m -79.07 -57.37 3.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 75.23 110.89 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.7 p -59.61 -23.36 25.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 74.05 111.165 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -74.6 -48.5 26.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 74.2 110.886 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -70.97 -40.05 63.14 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.73 . . . . 64.03 112.496 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.491 HG21 HG22 ' A' ' 19' ' ' VAL . 31.7 p -65.67 -60.0 3.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.817 0.341 . . . . 74.41 111.141 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 26.7 mm -57.98 -24.79 24.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 64.42 111.16 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -61.84 -58.04 14.73 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.702 -0.761 . . . . 64.21 112.506 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 8.3 ptp -81.75 -25.11 35.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.791 0.329 . . . . 54.44 110.824 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -71.35 -51.32 24.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 64.15 110.926 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -88.9 2.02 54.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 72.54 110.902 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.531 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 1.4 tt0 -53.3 -58.48 12.44 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.613 0.721 . . . . 74.51 110.937 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 131' ' ' GLN . 53.5 Cg_endo -69.73 150.96 69.06 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.676 2.251 . . . . 72.11 112.329 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -66.91 -26.34 66.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 72.21 110.955 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -174.53 -77.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 70.23 110.88 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -110.68 -31.49 7.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 43.01 110.91 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 56.03 92.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 62.14 110.892 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 70.12 110.876 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.863 0.363 . . . . 71.22 110.877 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -124.48 85.6 2.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 64.23 111.11 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -123.05 8.72 9.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.192 -0.458 . . . . 62.22 110.89 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -99.43 42.2 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 75.21 110.93 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.527 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 5.3 tt0 -55.43 -58.43 15.4 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.647 0.737 . . . . 74.31 110.888 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.6 Cg_endo -69.79 -34.36 14.64 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.706 2.271 . . . . 64.32 112.34 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.78 -20.71 66.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 72.33 110.888 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -83.0 -32.71 26.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 75.4 110.882 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.19 -50.44 63.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 63.21 110.932 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.8 t -51.89 -41.66 62.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 72.43 111.181 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 80.6 mt -61.76 -41.44 90.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 64.21 111.098 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -70.38 -11.15 60.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 71.51 110.83 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.89 -27.77 20.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 72.32 110.939 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.5 mm -79.29 -30.48 14.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 71.23 111.142 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.533 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 1.4 mm -51.81 -57.45 14.73 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.609 0.718 . . . . 71.41 111.138 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 54.0 Cg_endo -69.78 -38.23 8.03 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.688 2.258 . . . . 74.05 112.368 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -52.02 -56.84 11.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 72.14 110.915 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.686 HG22 HG21 ' A' ' 125' ' ' THR . 61.4 t -65.97 -46.31 88.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 63.51 111.113 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -52.44 -43.64 65.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 64.41 110.909 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.533 HD11 ' HB1' ' A' ' 48' ' ' ALA . 9.6 mt -56.77 -48.39 81.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 73.21 111.173 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.679 HG21 ' HB2' ' A' ' 121' ' ' CYS . 0.6 OUTLIER -67.97 -55.5 12.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.193 -0.458 . . . . 61.14 111.153 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.72 -37.19 58.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 70.35 110.907 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.8 mt -64.33 -39.38 93.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.092 -0.504 . . . . 64.14 110.958 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.7 -32.38 60.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 62.14 111.139 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.603 HD13 HG22 ' A' ' 118' ' ' VAL . 55.1 mt -74.15 -48.94 35.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 75.33 111.107 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.4 mp -53.94 -51.74 62.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.183 -0.462 . . . . 65.24 110.907 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.442 HG21 HD23 ' A' ' 41' ' ' LEU . 5.2 t -53.06 -51.51 37.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 65.41 111.152 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.525 ' CG ' HD11 ' A' ' 114' ' ' LEU . 1.6 m-85 -62.97 -20.68 65.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 74.13 110.906 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -85.93 -32.97 21.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 72.12 110.92 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.0 mp -128.41 68.81 78.01 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.579 0.704 . . . . 55.34 110.921 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 120.86 7.58 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.666 2.244 . . . . 72.22 112.386 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.19 175.11 5.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 72.43 110.862 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -100.09 19.07 17.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.11 -0.496 . . . . 65.24 110.896 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.1 t -100.48 -9.8 21.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 63.35 110.879 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 92.41 44.29 4.06 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.701 -0.761 . . . . 71.42 112.493 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -68.25 -21.52 64.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.898 0.38 . . . . 60.13 110.865 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.79 -45.76 91.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 54.11 110.887 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 7.5 ttt -73.67 -43.06 60.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 72.34 110.862 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 74.5 m -56.3 -41.44 75.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.256 -0.429 . . . . 73.0 111.18 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.503 HD13 ' O ' ' A' ' 41' ' ' LEU . 0.3 OUTLIER -65.44 -39.65 92.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 61.54 110.955 179.93 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 42.6 t -53.04 -46.04 68.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 65.32 110.862 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 12.9 mm -69.11 -33.2 57.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 74.33 111.105 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.49 -56.37 16.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 73.34 110.885 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.2 t -53.3 -40.37 39.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 60.03 111.107 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.0 tt -58.44 -41.6 85.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 72.53 110.883 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.5 -43.02 79.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 75.2 110.911 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.533 ' HB1' HD11 ' A' ' 21' ' ' ILE . . . -55.88 -45.16 78.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 64.23 111.127 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -54.24 -43.31 70.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 64.33 110.876 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.11 -42.44 94.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 73.44 111.148 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 71.4 t -56.14 -46.29 81.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 74.41 111.108 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.641 ' O ' HD12 ' A' ' 56' ' ' ILE . 15.6 m-85 -54.98 -39.87 69.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 74.24 110.921 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.98 -55.67 28.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 54.45 110.952 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 18.0 mt -57.74 -34.49 69.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 74.43 110.948 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.01 -62.5 1.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 74.24 110.89 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.824 HG23 ' HA ' ' A' ' 60' ' ' VAL . 4.0 mp -74.51 -24.06 18.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 72.0 111.155 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.3 t -52.1 -33.34 39.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 73.2 110.854 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.38 -49.9 5.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 74.23 110.9 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 27.9 mm -150.5 131.91 5.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 73.43 111.147 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.824 ' HA ' HG23 ' A' ' 56' ' ' ILE . 3.1 m -51.18 156.27 1.94 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.616 0.722 . . . . 61.31 111.113 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 167.79 23.38 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.638 2.226 . . . . 61.51 112.365 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -21.5 33.17 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.667 2.244 . . . . 72.21 112.316 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.1 p -71.7 -17.58 62.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 73.31 111.149 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.1 m -86.7 106.24 17.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 55.23 110.868 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.4 t -113.33 -65.64 1.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 74.02 110.835 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -122.58 12.54 10.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 74.25 110.881 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.29 160.58 14.31 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.572 0.701 . . . . 55.45 110.911 -179.767 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 123.86 10.5 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.658 2.239 . . . . 74.34 112.328 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.0 m -114.91 -22.96 9.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 75.22 110.873 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.3 p -58.3 -25.28 26.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 71.03 111.117 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -79.51 -35.61 28.71 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.743 -0.741 . . . . 64.34 112.459 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.76 -60.39 3.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.84 0.353 . . . . 71.34 110.884 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -61.53 -48.85 79.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 73.44 110.942 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.7 tp -52.39 -35.93 52.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 50.03 110.925 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -60.08 4.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 73.11 110.885 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.17 -23.82 65.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 74.0 110.855 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.452 ' O ' HG23 ' A' ' 81' ' ' VAL . 58.2 m -71.54 -53.89 12.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 72.45 111.16 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.1 mmt -61.48 -32.8 72.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 73.43 110.877 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 5.1 t -62.7 -57.54 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 61.42 111.136 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -65.21 -33.21 75.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 54.11 110.929 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 77' ' ' THR . 6.6 t -61.96 -39.06 82.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 71.31 111.137 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 55.3 m -66.42 -44.61 82.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.469 . . . . 70.22 111.117 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -24.03 67.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 64.34 110.891 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.05 -43.22 54.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 71.52 110.835 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 22.2 mm -58.57 -37.01 62.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 61.21 111.157 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 49.0 t -65.32 -46.73 89.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 73.35 111.101 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -69.88 -31.27 69.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 61.15 111.112 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.37 -61.47 2.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 54.3 110.883 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 11.7 p -64.51 -30.44 50.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.51 . . . . 62.24 111.156 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.17 -45.67 65.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 73.43 110.882 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.5 t -76.93 -28.28 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 62.44 111.166 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.24 -42.5 88.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 63.43 110.928 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -58.43 140.42 53.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 72.04 110.85 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.4 p -130.82 143.1 41.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 74.43 111.176 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -142.98 140.64 31.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 41.54 110.859 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 5.9 m80 -63.19 -69.97 0.24 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 74.54 110.827 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -65.61 169.79 5.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 55.44 110.839 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.22 160.55 59.28 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.681 0.753 . . . . 72.24 110.873 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -31.4 20.84 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.737 2.291 . . . . 72.21 112.356 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -176.48 144.75 0.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 75.12 110.94 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 8.1 p -55.01 172.28 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 74.23 111.14 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -164.01 157.0 17.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 75.3 110.822 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 4.9 p -95.44 17.38 14.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 63.24 111.099 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -179.86 127.48 1.13 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.757 -0.735 . . . . 73.24 112.461 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -74.74 132.06 13.57 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.701 -0.762 . . . . 44.23 112.509 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 105.16 168.36 24.0 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.772 -0.727 . . . . 73.55 112.494 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -148.29 -175.46 20.93 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.731 . . . . 54.15 112.478 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -109.88 -3.14 30.21 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.768 -0.73 . . . . 63.21 112.487 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.15 -36.08 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.82 0.343 . . . . 62.11 111.121 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -74.32 -41.14 61.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 74.11 110.873 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 1.5 mtt85 -65.2 -36.1 83.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 75.44 110.922 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.07 -44.39 96.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 75.04 110.957 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.568 ' CD1' HD11 ' A' ' 116' ' ' ILE . 55.1 t80 -67.94 -24.74 65.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 71.52 110.887 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.525 HD11 ' CG ' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -74.54 -44.39 51.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 64.13 110.926 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 23.0 t90 -56.12 -44.11 78.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.464 . . . . 63.33 110.929 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.568 HD11 ' CD1' ' A' ' 113' ' ' PHE . 38.6 pt -72.66 -24.89 21.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 73.4 111.094 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.468 ' CD1' HG23 ' A' ' 22' ' ' THR . 0.1 OUTLIER -68.28 -38.16 81.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 75.54 110.902 179.916 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.603 HG22 HD13 ' A' ' 26' ' ' ILE . 67.9 t -71.28 -41.73 74.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 64.52 111.115 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -57.39 -56.0 27.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 64.31 110.82 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 11.4 p -58.71 -32.2 46.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 72.1 111.116 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 0.679 ' HB2' HG21 ' A' ' 22' ' ' THR . 0.5 OUTLIER -71.35 -46.2 61.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 75.45 110.885 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 37.5 t -66.39 -62.31 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 60.21 111.11 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -57.52 -28.94 63.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 65.25 110.872 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -70.29 -57.0 7.12 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.777 -0.725 . . . . 75.24 112.512 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.686 HG21 HG22 ' A' ' 19' ' ' VAL . 41.5 p -54.87 -48.41 72.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.781 0.324 . . . . 75.1 111.118 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 94.1 mt -66.12 -28.57 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 71.42 111.167 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -72.03 -46.09 38.0 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 41.23 112.531 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 23.4 ptp -75.54 -24.01 56.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.799 0.333 . . . . 74.12 110.87 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -83.8 -34.41 24.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 65.23 110.922 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -100.1 1.5 42.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.494 . . . . 74.5 110.949 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.52 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 1.8 tt0 -56.52 -58.47 16.86 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.622 0.725 . . . . 74.41 110.94 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 131' ' ' GLN . 53.7 Cg_endo -69.74 150.99 69.07 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.658 2.239 . . . . 75.32 112.336 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -66.81 -26.4 66.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 63.22 110.913 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -174.29 -77.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 71.32 110.918 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -110.66 -28.37 8.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 71.42 110.919 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 55.41 84.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 55.41 110.86 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 74.54 110.893 -179.958 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 10.2 t30 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.888 0.375 . . . . 74.02 110.887 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -128.78 14.19 6.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 62.52 111.118 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -126.42 49.23 2.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 75.0 110.934 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -98.23 12.24 35.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 63.24 110.844 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.521 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 1.9 tt0 -57.56 -58.36 18.83 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.619 0.723 . . . . 71.34 110.9 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.4 Cg_endo -69.79 -20.53 34.59 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.726 2.284 . . . . 74.42 112.339 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.28 -17.46 62.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 74.11 110.933 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.472 ' HA ' HD12 ' A' ' 12' ' ' ILE . 1.1 m-85 -78.56 -25.5 45.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 62.24 110.936 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -66.7 -57.18 7.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 75.33 110.924 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.729 ' O ' HD12 ' A' ' 15' ' ' ILE . 4.1 t -53.13 -39.65 63.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.498 . . . . 74.14 111.104 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.472 HD12 ' HA ' ' A' ' 9' ' ' PHE . 61.6 mt -60.05 -45.68 95.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 62.22 111.144 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -67.16 -14.79 63.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 74.1 110.888 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.28 -23.54 23.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 63.11 110.966 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.729 HD12 ' O ' ' A' ' 11' ' ' THR . 1.3 mp -79.21 -32.26 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 75.21 111.113 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.543 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 2.3 mt -51.98 -57.46 14.91 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.613 0.721 . . . . 52.4 111.143 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.543 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.9 Cg_endo -69.76 -34.68 14.1 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.698 2.265 . . . . 52.12 112.336 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -53.84 -56.86 13.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 73.21 110.869 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.6 t -62.47 -42.01 94.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 63.43 111.153 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.83 -45.7 85.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 62.51 110.921 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 5.1 mt -52.7 -50.63 40.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 71.3 111.11 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.1 m -55.28 -45.47 76.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 75.02 111.109 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.2 p -54.59 -41.84 70.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 71.0 110.846 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.5 mt -53.43 -56.47 16.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 65.11 110.874 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.05 -41.21 67.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 70.41 111.13 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 51.1 mt -65.58 -36.06 76.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 61.24 111.138 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -44.45 92.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 74.11 110.906 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 31.2 t -60.23 -36.98 71.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 73.44 111.128 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.414 ' CD2' HD11 ' A' ' 114' ' ' LEU . 4.5 m-85 -74.9 -18.13 60.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 74.41 110.888 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -96.04 -21.34 18.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 63.51 110.901 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.6 mp -130.13 72.98 81.75 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.552 0.692 . . . . 75.12 110.871 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 142.34 47.7 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.684 2.256 . . . . 75.43 112.328 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.43 162.69 37.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 65.22 110.886 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.6 p30 -98.48 45.32 1.01 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 72.44 110.879 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.23 0.62 21.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 74.11 110.868 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.4 24.64 58.6 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.732 -0.747 . . . . 75.2 112.486 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.99 -35.34 78.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.855 0.36 . . . . 74.33 110.878 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.21 -51.06 65.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 61.0 110.916 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.8 mtt -67.12 -42.39 84.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 73.12 110.881 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 55.1 m -59.4 -38.75 81.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 65.44 111.155 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.38 -47.91 84.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 75.14 110.947 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.6 t -58.67 -32.73 69.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 74.11 110.871 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 51.3 mt -75.37 -30.91 23.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 74.32 111.113 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.53 -55.2 7.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 62.11 110.889 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.2 p -61.48 -25.35 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 72.3 111.128 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.5 HD23 ' N ' ' A' ' 47' ' ' LEU . 2.3 tt -75.02 -53.78 8.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 75.11 110.92 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.5 ' N ' HD23 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -52.1 -51.39 58.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 74.24 110.927 179.9 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.13 -42.45 69.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 64.02 111.096 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.63 -47.84 75.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 74.14 110.929 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.7 m -69.52 -29.91 67.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 75.22 111.133 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 23.6 t -68.63 -32.96 57.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 73.13 111.098 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.666 ' O ' HD12 ' A' ' 56' ' ' ILE . 10.0 m-85 -69.62 -49.38 54.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 75.33 110.917 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.59 -59.25 4.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 63.44 110.923 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.7 tp -52.56 -37.74 58.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 70.03 110.921 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.88 -65.99 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 73.52 110.921 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.666 HD12 ' O ' ' A' ' 52' ' ' PHE . 1.9 mp -70.98 -21.1 22.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 64.31 111.104 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.7 t -48.69 -41.17 30.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 72.11 110.893 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.0 ptmt -95.41 -22.67 17.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 65.31 110.87 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.8 mt -119.81 62.18 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 62.4 111.09 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.565 ' HA ' HG22 ' A' ' 56' ' ' ILE . 2.9 m -50.83 156.58 1.6 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.61 0.719 . . . . 53.04 111.12 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.468 ' HG3' HG12 ' A' ' 70' ' ' VAL . 53.9 Cg_endo -69.83 167.76 23.6 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.648 2.232 . . . . 35.55 112.335 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -13.76 35.17 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.682 2.255 . . . . 74.22 112.334 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.03 86.01 2.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 65.03 111.167 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.61 119.3 35.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 54.41 110.843 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.9 t -164.16 -73.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 45.35 110.859 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -129.07 -53.94 1.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 70.45 110.864 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.9 t -117.44 70.33 6.26 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.65 0.738 . . . . 73.44 110.893 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 157.01 61.84 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.663 2.242 . . . . 64.44 112.324 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.94 -50.33 73.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 72.3 110.848 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.468 HG12 ' HG3' ' A' ' 61' ' ' PRO . 8.9 p -54.05 -30.96 20.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 62.53 111.164 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -79.65 -42.72 11.02 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.768 -0.729 . . . . 61.41 112.459 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -55.24 -55.96 25.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.842 0.353 . . . . 71.22 110.88 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -64.25 -32.44 74.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 71.43 110.882 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 38.5 tp -65.94 -45.85 80.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 75.33 110.932 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.89 -45.64 71.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 74.32 110.93 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -65.97 -33.24 75.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 73.51 110.879 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 51.7 m -74.0 -29.43 61.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 70.44 111.166 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 5.5 mmt -65.77 -55.01 19.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 71.42 110.858 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 22.3 m -62.17 -27.48 42.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 74.35 111.137 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.21 -57.53 3.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 41.31 110.894 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -61.41 -21.0 24.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 74.22 111.126 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.0 m -69.59 -51.82 31.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 72.35 111.115 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -59.06 -37.01 76.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 62.41 110.866 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.8 t -60.48 -45.96 91.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 71.21 110.868 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.7 mm -57.34 -48.45 82.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 63.43 111.15 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 53.9 t -56.31 -39.81 62.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 73.35 111.123 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.473 ' O ' HG23 ' A' ' 91' ' ' VAL . 0.9 OUTLIER -70.63 -27.52 64.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 53.32 111.113 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.4 m -66.08 -43.74 86.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 71.54 110.851 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 93.8 t -78.45 -40.11 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 74.12 111.122 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 34.9 t -54.86 -40.45 69.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 41.03 110.882 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 87' ' ' THR . 74.3 t -71.19 -43.35 75.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 61.54 111.129 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -57.55 -41.97 82.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 72.1 110.936 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -174.92 149.13 1.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 74.23 110.887 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.4 p -69.18 142.4 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 74.1 111.143 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -137.39 119.6 15.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 73.44 110.859 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -78.73 133.32 37.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 53.35 110.89 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.32 168.98 17.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 75.51 110.838 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.08 160.54 0.12 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.662 0.744 . . . . 21.13 110.845 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -43.48 2.67 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.688 2.259 . . . . 74.23 112.346 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -112.15 176.5 4.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 74.52 110.904 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 81.6 p -82.73 165.07 20.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 72.51 111.162 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -125.37 -64.99 1.04 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 75.54 110.904 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.11 141.41 32.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 60.13 111.162 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -61.26 -63.85 4.54 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.773 -0.727 . . . . 65.12 112.514 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 95.61 -152.53 20.38 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.684 -0.77 . . . . 63.41 112.478 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 154.79 -156.46 26.91 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.716 -0.754 . . . . 72.24 112.453 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -85.8 155.88 29.54 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.769 -0.729 . . . . 72.24 112.523 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 96.82 -14.67 63.76 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.773 -0.727 . . . . 72.3 112.485 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.2 -35.99 16.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.853 0.359 . . . . 75.03 111.139 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -61.84 -55.06 33.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 60.41 110.907 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.49 -30.67 61.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 62.41 110.838 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.1 mt -65.8 -46.12 79.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 73.24 110.85 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.0 -24.59 66.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 71.24 110.884 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.414 HD11 ' CD2' ' A' ' 29' ' ' PHE . 1.3 mp -68.23 -43.64 77.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 74.21 110.909 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 7.1 t-105 -80.13 -42.23 23.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 63.45 110.954 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 1.1 tt -56.3 -24.81 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 74.0 111.147 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.09 -59.12 2.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 75.14 110.914 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 65.5 t -53.27 -28.28 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 64.24 111.116 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -70.34 -59.43 2.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 72.14 110.878 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 11.3 p -62.75 -23.06 31.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 74.11 111.14 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -79.55 -51.72 8.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 73.42 110.866 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 25.4 t -61.27 -43.24 96.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 72.55 111.173 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -60.44 -61.86 2.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 64.43 110.873 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -55.44 -46.74 79.57 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 43.2 112.469 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 39.7 m -58.62 -60.85 3.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.764 0.316 . . . . 71.32 111.129 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 23.2 mt -52.74 -33.22 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 72.23 111.108 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -57.41 -60.56 8.79 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.716 -0.754 . . . . 34.24 112.532 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 23.3 ptp -73.71 -23.23 59.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.78 0.324 . . . . 34.23 110.855 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -73.02 -14.33 61.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 73.32 110.905 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -79.39 -25.04 42.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 61.54 110.948 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.528 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 3.0 tt0 -53.86 -58.48 13.11 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.61 0.719 . . . . 75.41 110.912 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 131' ' ' GLN . 53.5 Cg_endo -69.73 150.93 69.04 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.696 2.264 . . . . 63.24 112.347 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -66.89 -26.34 66.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 53.51 110.887 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -175.35 178.91 1.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 75.44 110.88 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -62.48 -31.84 72.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 70.31 110.911 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 53.42 72.67 0.42 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 72.33 110.843 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 72.44 110.857 -179.921 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.9 t30 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.864 0.364 . . . . 62.5 110.903 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 58.59 94.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 45.52 111.107 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -125.82 35.33 4.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 63.42 110.867 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -109.08 10.03 26.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 73.51 110.91 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.534 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 3.1 tt0 -65.15 -58.4 12.59 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.619 0.723 . . . . 71.22 110.858 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.606 ' O ' HG23 ' A' ' 63' ' ' THR . 53.3 Cg_endo -69.77 -35.79 11.97 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.707 2.272 . . . . 72.51 112.317 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.604 HD11 ' CD ' ' A' ' 131' ' ' GLN . 0.2 OUTLIER -65.37 -16.3 63.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 74.33 110.955 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -58.24 -23.1 54.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 64.24 110.879 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -73.15 -60.82 2.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 71.2 110.935 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.737 ' O ' HD12 ' A' ' 15' ' ' ILE . 5.3 t -59.89 -38.34 81.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.074 -0.512 . . . . 71.21 111.13 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.73 HD11 ' HG3' ' A' ' 132' ' ' PRO . 12.6 mm -64.57 -45.77 94.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 65.21 111.149 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -67.89 -13.08 61.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 74.41 110.872 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.95 -24.85 22.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 73.23 110.938 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.737 HD12 ' O ' ' A' ' 11' ' ' THR . 1.4 mp -78.95 -32.14 15.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 73.24 111.109 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.547 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 2.2 mt -51.95 -57.5 14.71 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.608 0.718 . . . . 74.32 111.098 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.547 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.8 Cg_endo -69.71 -36.2 11.38 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.671 2.247 . . . . 71.44 112.369 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -52.58 -54.71 29.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 64.33 110.88 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 15' ' ' ILE . 26.9 m -76.78 -35.04 23.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 64.42 111.095 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.41 ' HB3' ' HA ' ' A' ' 17' ' ' PRO . 49.9 tp -58.44 -44.5 89.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 73.21 110.93 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.707 ' CG2' HG22 ' A' ' 45' ' ' VAL . 13.2 mt -67.02 -42.55 88.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 74.52 111.14 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.617 HG22 HD11 ' A' ' 26' ' ' ILE . 25.5 m -52.35 -54.82 26.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 64.15 111.099 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.1 p -52.71 -42.87 65.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 52.04 110.867 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -61.48 -35.94 79.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 61.14 110.93 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.14 -29.9 54.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 74.01 111.104 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.617 HD11 HG22 ' A' ' 22' ' ' THR . 45.8 mt -76.73 -43.63 33.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 74.13 111.102 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 86.8 mt -65.12 -32.08 73.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 55.45 110.956 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.677 HG21 HD23 ' A' ' 41' ' ' LEU . 5.4 t -68.89 -50.16 56.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 65.21 111.088 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.542 ' HB3' HD11 ' A' ' 114' ' ' LEU . 6.3 m-85 -65.22 -20.64 66.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 73.51 110.87 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -77.68 -45.01 26.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.131 -0.486 . . . . 71.33 110.948 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 mp -89.95 160.71 40.15 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.608 0.718 . . . . 62.21 110.919 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 150.55 68.25 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.695 2.263 . . . . 42.2 112.352 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.2 t -79.51 152.44 30.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 61.14 110.884 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.54 -74.29 0.61 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.153 -0.476 . . . . 75.22 110.903 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.7 t -109.11 -11.61 14.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.224 -0.444 . . . . 71.51 110.873 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 134.41 38.4 0.2 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 64.41 112.514 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.79 -28.07 46.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.934 0.397 . . . . 64.03 110.922 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -65.62 -40.87 93.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 63.35 110.907 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.92 -42.32 70.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 71.41 110.917 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 69.9 p -60.57 -29.87 69.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 72.04 111.104 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.677 HD23 HG21 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -72.22 -41.37 66.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 74.43 110.896 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.9 t -53.84 -48.61 69.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 73.22 110.874 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 44.6 pt -71.66 -25.61 24.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 74.23 111.105 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.9 m -71.99 -54.55 9.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 64.34 110.878 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.707 HG22 ' CG2' ' A' ' 21' ' ' ILE . 27.5 t -51.67 -44.83 36.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 54.52 111.133 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 35.7 tp -67.52 -29.15 68.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.122 -0.49 . . . . 75.35 110.935 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.4 tp -55.66 -60.9 2.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 71.34 110.931 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.53 -43.52 72.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 60.4 111.045 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.635 HD21 ' CG2' ' A' ' 77' ' ' THR . 0.1 OUTLIER -54.51 -28.83 47.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 74.14 110.941 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.3 m -82.22 -34.34 28.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 74.32 111.16 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 91.5 t -51.84 -58.92 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 73.24 111.127 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.611 ' O ' HD12 ' A' ' 56' ' ' ILE . 34.1 m-85 -68.72 -41.79 78.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 70.32 110.886 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 41.4 tp -51.74 -37.33 50.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 62.23 110.895 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.1 tp -81.92 -32.74 30.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 73.11 110.959 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.454 ' O ' HD22 ' A' ' 55' ' ' LEU . 1.9 tm? -51.72 -52.33 49.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 54.54 110.95 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.632 HG23 ' HA ' ' A' ' 60' ' ' VAL . 4.5 mp -80.55 -25.53 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 71.13 111.123 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.6 t -51.65 -31.98 27.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 43.11 110.886 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.3 ttpt -94.99 -50.09 5.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 73.3 110.909 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 29.5 mm -151.0 134.28 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 74.45 111.117 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.632 ' HA ' HG23 ' A' ' 56' ' ' ILE . 3.1 m -51.18 156.34 1.92 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.596 0.712 . . . . 72.11 111.151 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 167.72 23.58 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.7 2.267 . . . . 55.34 112.391 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -9.96 27.41 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.682 2.255 . . . . 72.31 112.367 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.606 HG23 ' O ' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -54.43 -56.06 22.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 74.54 111.158 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.5 141.53 13.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.255 -0.429 . . . . 75.44 110.839 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.5 m -116.7 -5.89 11.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 65.02 110.879 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -107.42 -10.2 15.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.489 . . . . 75.45 110.892 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 83.6 p -171.84 70.13 0.46 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.635 0.731 . . . . 73.53 110.872 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 178.62 4.35 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.673 2.249 . . . . 74.15 112.346 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.8 m -145.59 24.83 1.37 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 63.43 110.882 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.2 p -56.12 -25.52 19.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.499 . . . . 71.4 111.128 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -76.34 -38.41 33.84 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.718 -0.753 . . . . 72.41 112.526 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -54.51 -55.57 27.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.847 0.356 . . . . 73.43 110.888 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -59.44 -47.79 84.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.487 . . . . 74.23 110.953 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.26 -31.29 63.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.09 -0.505 . . . . 63.14 110.913 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 1.8 tpp -63.36 -45.93 88.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 72.11 110.879 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -77.76 -36.95 50.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 72.33 110.831 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.635 ' CG2' HD21 ' A' ' 49' ' ' LEU . 59.9 m -64.74 -37.66 88.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 75.24 111.102 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.0 mmt -66.63 -49.88 64.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.273 -0.422 . . . . 73.14 110.891 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 17.6 t -53.48 -41.31 44.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 62.55 111.123 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.5 tp -74.61 -49.22 22.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 70.21 110.938 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 77' ' ' THR . 15.5 t -52.6 -49.03 46.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 72.1 111.158 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.2 m -54.65 -57.04 13.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 61.35 111.136 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.19 -26.03 62.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 74.41 110.88 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.4 t -71.76 -34.34 69.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 72.45 110.842 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 32.2 mm -69.73 -41.21 79.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.476 . . . . 75.23 111.12 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 74.8 t -63.95 -44.48 97.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 65.22 111.137 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.504 HG21 ' CE1' ' A' ' 113' ' ' PHE . 29.0 p -72.05 -29.6 64.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 75.04 111.151 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.41 -55.68 31.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 63.14 110.861 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 32.1 m -74.34 -22.76 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 64.32 111.105 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 35.2 t -60.82 -42.79 98.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 73.45 110.842 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.7 t -76.97 -43.76 32.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 42.12 111.135 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.1 tp -53.35 -52.7 58.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 63.11 110.907 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -131.19 129.01 41.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 54.22 110.878 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 11.0 p -86.42 144.53 9.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.162 -0.472 . . . . 52.14 111.129 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -120.36 179.23 4.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 72.5 110.857 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 62.79 163.83 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 74.22 110.879 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.05 124.15 0.74 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 63.43 110.872 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -140.78 160.53 58.32 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.625 0.726 . . . . 71.21 110.884 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -36.43 10.8 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.647 2.232 . . . . 74.01 112.341 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -133.72 151.36 51.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 74.43 110.841 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 39.7 p -107.26 151.48 25.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 73.32 111.172 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 -132.66 18.79 4.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 72.11 110.802 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 15.0 p -120.12 103.93 9.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 65.51 111.139 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 69.71 168.84 6.66 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.702 -0.761 . . . . 65.52 112.508 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -98.92 -58.08 0.95 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.761 -0.733 . . . . 52.03 112.487 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -103.79 -167.0 25.24 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.761 -0.733 . . . . 73.44 112.528 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -88.11 -149.21 17.46 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.733 -0.746 . . . . 72.23 112.454 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 96.87 8.3 57.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.72 -0.752 . . . . 75.53 112.518 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.435 HG23 ' N ' ' A' ' 110' ' ' ASP . 3.5 tp -50.88 -48.22 28.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.82 0.343 . . . . 53.53 111.104 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.436 ' O ' HD13 ' A' ' 114' ' ' LEU . 30.7 t70 -70.5 -21.0 62.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 51.32 110.886 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 5.1 mmt180 -75.31 -44.73 43.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 71.03 110.904 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -76.66 -41.69 44.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 70.33 110.912 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.504 ' CE1' HG21 ' A' ' 87' ' ' THR . 8.0 t80 -56.47 -38.3 71.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 71.52 110.867 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.657 ' O ' HG23 ' A' ' 118' ' ' VAL . 0.5 OUTLIER -68.09 -45.08 74.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 62.42 110.95 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -59.29 -50.95 72.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 72.21 110.885 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 33.0 pt -64.5 -23.04 32.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 72.34 111.098 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -74.48 -41.87 59.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 73.41 110.874 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 114' ' ' LEU . 8.5 t -69.88 -23.45 25.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 64.21 111.103 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -73.14 -57.05 4.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 62.32 110.904 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 2.7 p -53.73 -32.18 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 62.04 111.125 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 87.4 m -78.16 -54.17 6.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 74.14 110.873 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 11.5 t -54.0 -46.17 65.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 70.21 111.124 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -56.83 -50.12 73.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 72.22 110.874 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -64.55 -55.79 20.94 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.77 -0.729 . . . . 62.12 112.48 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.448 HG21 ' CG1' ' A' ' 19' ' ' VAL . 10.7 p -56.14 -63.05 1.31 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.794 0.331 . . . . 70.13 111.146 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.615 HG22 HD12 ' A' ' 130' ' ' LEU . 48.4 mm -55.73 -33.73 34.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 72.21 111.122 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -55.85 -53.01 44.93 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.756 -0.735 . . . . 63.55 112.43 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' MET . . . . . 0.519 ' HG3' HD11 ' A' ' 15' ' ' ILE . 24.6 ptp -79.84 -29.55 40.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.8 0.333 . . . . 72.41 110.896 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.499 ' CD1' HG21 ' A' ' 15' ' ' ILE . 40.6 t80 -68.85 -14.61 63.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 71.05 110.874 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.615 HD12 HG22 ' A' ' 126' ' ' ILE . 0.1 OUTLIER -84.66 -0.1 52.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 53.44 110.901 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.604 ' CD ' HD11 ' A' ' 8' ' ' LEU . 2.5 tt0 -61.59 -58.53 17.83 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.57 0.7 . . . . 74.45 110.861 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.73 ' HG3' HD11 ' A' ' 12' ' ' ILE . 53.6 Cg_endo -69.75 150.95 68.93 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.687 2.258 . . . . 61.52 112.305 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -66.95 -26.26 66.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 74.11 110.912 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -166.84 175.62 7.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 74.1 110.865 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -55.58 -29.55 59.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 62.42 110.863 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 57.97 74.96 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 73.43 110.86 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 71.34 110.851 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 49.1 m-20 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.789 0.328 . . . . 74.14 110.844 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -168.66 100.9 0.4 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 64.15 111.093 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -99.44 7.29 45.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 70.11 110.897 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -112.39 -5.27 14.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 74.1 110.905 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.519 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 5.3 tt0 -59.95 -58.47 19.13 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.657 0.741 . . . . 72.41 110.895 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.7 Cg_endo -69.76 -24.53 29.55 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.679 2.252 . . . . 63.21 112.374 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.5 -25.81 68.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.175 -0.466 . . . . 73.11 110.918 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -68.45 -25.68 65.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 71.03 110.891 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -69.48 -60.75 2.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.504 . . . . 62.11 110.907 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.724 ' O ' HD12 ' A' ' 15' ' ' ILE . 4.2 t -52.71 -40.48 63.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 75.21 111.118 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.5 mt -57.66 -46.79 86.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 72.14 111.105 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.45 -14.6 63.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 74.35 110.868 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.404 HD11 HD11 ' A' ' 56' ' ' ILE . 0.3 OUTLIER -88.96 -23.49 22.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 72.34 110.936 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.724 HD12 ' O ' ' A' ' 11' ' ' THR . 1.2 mp -78.28 -33.35 17.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 75.12 111.175 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.53 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 1.2 mm -51.84 -57.5 14.57 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.596 0.713 . . . . 74.43 111.115 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.7 Cg_endo -69.73 -32.28 19.02 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.703 2.268 . . . . 60.03 112.346 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.1 t -52.29 -58.84 5.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 72.44 110.886 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.402 HG11 HG21 ' A' ' 125' ' ' THR . 29.2 m -66.54 -31.82 55.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 73.23 111.103 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.9 mt -63.76 -43.49 96.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 63.45 110.914 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 9.5 mt -61.49 -44.65 98.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 74.25 111.135 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -59.69 -49.06 79.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 73.01 111.129 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -34.61 58.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 53.05 110.86 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.657 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -61.66 -47.3 85.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 72.12 110.885 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.17 -35.55 81.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 44.13 111.119 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 22.6 mt -70.82 -45.49 73.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 61.13 111.149 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 35.9 mt -61.5 -27.55 68.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 63.13 110.877 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 24' ' ' LEU . 75.7 t -73.7 -46.58 47.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 74.44 111.096 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.629 ' HB2' HD21 ' A' ' 114' ' ' LEU . 21.3 m-85 -59.23 -33.34 70.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 75.44 110.898 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -80.74 -25.98 37.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.097 -0.501 . . . . 74.13 110.908 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.26 71.87 18.03 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.577 0.703 . . . . 64.41 110.947 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 119.31 6.28 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.67 2.247 . . . . 75.11 112.353 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 68.2 m -153.05 142.55 21.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 64.4 110.819 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.6 t0 63.13 167.68 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 71.24 110.877 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -101.14 -21.84 14.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 71.52 110.883 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.11 10.99 69.75 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 53.05 112.532 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -83.37 -44.96 14.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.934 0.397 . . . . 73.23 110.911 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.73 -32.22 59.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 55.22 110.861 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.564 ' O ' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -70.15 -58.9 3.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 70.12 110.907 179.874 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.99 -25.05 64.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 64.53 111.123 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.418 HD22 HG21 ' A' ' 28' ' ' VAL . 10.4 tp -64.45 -55.84 18.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.281 -0.418 . . . . 53.23 110.89 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.8 t -53.14 -41.85 65.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 72.21 110.881 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.564 HD12 ' O ' ' A' ' 39' ' ' MET . 3.6 mt -70.46 -42.58 78.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 51.21 111.119 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.48 -60.1 4.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.142 -0.481 . . . . 71.54 110.875 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 24.2 t -52.19 -36.79 21.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.501 . . . . 73.44 111.139 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.3 mt -59.67 -44.95 93.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 71.24 110.887 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.2 tt -59.84 -52.61 64.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 75.54 110.915 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.79 -36.36 72.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 40.31 111.094 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -73.39 -36.12 66.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 44.03 110.897 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 30.9 m -67.93 -37.6 81.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 72.34 111.119 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 23.3 t -63.71 -42.17 95.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 71.13 111.101 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.686 ' O ' HD12 ' A' ' 56' ' ' ILE . 5.4 m-85 -75.13 -38.51 61.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 63.44 110.862 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.3 tt -64.41 -58.43 6.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 70.5 110.883 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 18.8 mt -53.2 -37.55 62.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 62.11 110.956 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.3 tt -54.42 -53.37 54.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 72.32 110.887 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.686 HD12 ' O ' ' A' ' 52' ' ' PHE . 2.2 mp -64.21 -37.04 78.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 63.23 111.152 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.0 t -66.95 -25.01 66.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 63.34 110.86 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.59 -9.98 36.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.493 . . . . 74.13 110.905 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.685 HG22 ' HD3' ' A' ' 61' ' ' PRO . 22.5 mm 65.92 111.9 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 65.02 111.172 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.9 t -140.45 70.23 32.42 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.609 0.719 . . . . 64.23 111.078 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.685 ' HD3' HG22 ' A' ' 59' ' ' ILE . 53.4 Cg_endo -69.81 167.74 23.63 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.684 2.256 . . . . 73.4 112.338 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -44.6 1.99 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.684 2.256 . . . . 65.01 112.324 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -176.36 -37.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 74.11 111.159 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 88.5 p -123.43 131.07 53.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 75.5 110.863 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.1 p -132.9 165.03 25.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 70.24 110.852 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -177.4 -42.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 71.22 110.878 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 43.6 m -149.83 71.35 9.58 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.694 0.759 . . . . 62.32 110.854 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 163.55 37.86 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.709 2.273 . . . . 60.03 112.345 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.2 t -124.69 20.32 8.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 75.2 110.894 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 22.1 m -69.3 -30.14 44.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 74.33 111.166 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -67.81 -33.97 81.48 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.711 -0.757 . . . . 75.12 112.514 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -68.96 -63.54 1.04 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.895 0.378 . . . . 74.3 110.933 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -52.85 -42.84 65.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 53.03 110.909 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 58.4 tp -59.74 -35.13 73.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.481 . . . . 71.53 110.934 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -50.47 73.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 73.34 110.925 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -72.8 -22.94 60.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 74.31 110.895 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.9 m -76.73 -42.92 39.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 74.23 111.117 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -38.83 92.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 71.21 110.9 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 3.4 t -61.29 -54.67 31.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 75.43 111.147 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -50.64 69.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 71.31 110.912 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 26.4 t -54.93 -40.46 53.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 75.41 111.116 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.537 ' O ' HG23 ' A' ' 86' ' ' VAL . 1.8 m -61.6 -34.49 75.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 54.32 111.137 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.28 -52.65 64.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 72.2 110.9 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.5 -49.85 63.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 75.01 110.842 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.497 ' O ' HG23 ' A' ' 89' ' ' VAL . 48.0 mm -60.48 -36.53 70.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 74.24 111.103 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 82' ' ' THR . 36.1 t -64.37 -36.07 76.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 74.22 111.122 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 7.3 m -71.76 -38.3 70.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 72.32 111.137 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.9 p -73.47 -36.62 65.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 75.02 110.865 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 85' ' ' ILE . 39.6 t -65.71 -31.03 51.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 71.5 111.116 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.66 -36.3 23.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.166 -0.47 . . . . 55.21 110.878 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.2 t -73.54 -44.13 54.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 61.11 111.093 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.7 tp -56.2 -57.71 11.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 54.14 110.9 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -151.14 149.5 29.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 62.2 110.881 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 1.4 p -160.02 158.25 2.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 61.24 111.142 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 43.5 m80 -150.44 97.23 2.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 73.01 110.909 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 26.9 t60 -160.15 90.82 0.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 73.23 110.826 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 8.3 mtt-85 -86.81 130.16 34.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 63.55 110.834 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.24 160.56 30.8 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.655 0.741 . . . . 75.11 110.876 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -42.29 3.55 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.645 2.23 . . . . 72.34 112.331 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -128.74 132.92 47.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 73.11 110.879 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 39.2 p -120.3 161.85 20.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 65.34 111.129 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -66.72 118.76 10.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 72.24 110.883 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.18 126.81 28.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 75.25 111.175 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -174.76 73.57 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.71 -0.757 . . . . 74.3 112.46 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -179.91 -42.97 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.722 -0.751 . . . . 73.44 112.45 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 82.99 33.91 22.65 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.705 -0.759 . . . . 72.24 112.531 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 99.9 -177.4 29.04 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.709 -0.758 . . . . 62.0 112.505 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 64.72 18.34 63.82 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.766 -0.73 . . . . 34.42 112.456 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.17 -35.98 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.824 0.345 . . . . 71.3 111.152 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -70.52 -49.01 52.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.471 . . . . 35.14 110.862 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.0 -31.18 60.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 75.42 110.807 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.99 -50.94 52.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 65.32 110.928 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.1 -24.56 65.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 72.45 110.878 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.629 HD21 ' HB2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -68.2 -43.03 78.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 71.41 110.947 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 9.3 t90 -80.28 -42.51 22.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.904 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 1.1 tt -56.25 -24.73 18.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.284 -0.416 . . . . 54.02 111.185 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.13 -59.01 2.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 71.51 110.884 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.605 ' O ' HG23 ' A' ' 122' ' ' VAL . 40.2 t -51.72 -29.95 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 71.53 111.175 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -69.8 -58.5 3.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 62.34 110.891 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 13.5 p -63.26 -28.0 44.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 73.53 111.107 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -73.63 -34.65 65.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 53.11 110.915 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 118' ' ' VAL . 5.3 t -64.19 -57.64 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 43.54 111.124 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -67.85 -26.97 66.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 63.42 110.874 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -72.74 -54.07 7.7 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.745 -0.741 . . . . 74.21 112.456 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.402 HG21 HG11 ' A' ' 19' ' ' VAL . 2.3 m -67.11 -59.28 3.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.727 0.299 . . . . 73.53 111.12 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.667 HG22 HD12 ' A' ' 130' ' ' LEU . 96.5 mt -56.05 -32.65 34.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 64.13 111.139 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -56.26 -60.24 9.28 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.773 -0.727 . . . . 62.43 112.443 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 18.4 ptp -74.57 -27.75 60.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.831 0.348 . . . . 74.31 110.87 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -72.14 -14.97 61.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 62.42 110.86 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.667 HD12 HG22 ' A' ' 126' ' ' ILE . 0.9 OUTLIER -85.16 -4.17 59.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 54.44 110.909 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.515 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 0.8 OUTLIER -51.28 -58.61 10.0 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.592 0.71 . . . . 72.15 110.887 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 131' ' ' GLN . 54.3 Cg_endo -69.73 154.06 68.33 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.694 2.263 . . . . 73.04 112.371 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.796 HD21 ' HB2' ' A' ' 136' ' ' GLU . 1.6 pt? -85.08 -26.63 26.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 74.4 110.977 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 180.0 -77.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 64.22 110.91 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -117.29 -28.05 6.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 71.04 110.868 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' GLU . . . . . 0.796 ' HB2' HD21 ' A' ' 133' ' ' LEU . 28.7 mm-40 -83.12 55.73 3.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 71.13 110.892 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 75.44 110.904 -179.941 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.798 0.332 . . . . 64.2 110.875 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.22 108.42 0.69 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 33.24 111.149 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -110.89 25.81 11.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 70.52 110.903 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 54.98 90.91 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 73.45 110.888 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.503 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 5.9 tt0 178.56 -59.2 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.63 0.729 . . . . 74.0 110.878 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.9 Cg_endo -69.78 -22.72 31.58 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.681 2.254 . . . . 75.41 112.375 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.506 HD21 ' HB3' ' A' ' 132' ' ' PRO . 0.3 OUTLIER -71.51 -38.49 71.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 70.23 110.914 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -82.18 -22.16 36.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 71.41 110.851 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -71.32 -53.39 14.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 72.35 110.915 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.6 t -52.09 -40.58 61.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 54.41 111.162 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 69.6 mt -66.38 -34.41 69.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 74.11 111.14 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -74.18 -14.23 60.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 72.52 110.896 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -88.94 -27.05 21.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 64.44 110.895 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.458 ' O ' HG22 ' A' ' 19' ' ' VAL . 49.0 mm -79.35 -30.42 13.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 74.54 111.152 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.536 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 1.4 mm -52.13 -57.44 15.17 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.63 0.728 . . . . 74.41 111.144 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.2 Cg_endo -69.84 -37.73 8.59 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.644 2.229 . . . . 63.41 112.348 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -52.47 -58.87 5.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 74.1 110.88 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 15' ' ' ILE . 32.7 m -68.14 -23.06 28.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 74.31 111.146 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.3 mt -68.64 -56.36 8.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 73.13 110.879 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 32.0 mm -53.65 -46.91 61.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 73.13 111.128 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 91.7 m -52.72 -51.82 58.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 74.34 111.127 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 p -53.59 -38.7 64.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 61.31 110.894 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.487 ' O ' HD23 ' A' ' 24' ' ' LEU . 2.7 tt -55.03 -43.54 73.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.102 -0.499 . . . . 62.34 110.913 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.405 ' HA ' HD11 ' A' ' 41' ' ' LEU . . . -67.11 -30.72 70.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 62.25 111.126 179.777 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.552 HD13 HG22 ' A' ' 118' ' ' VAL . 96.3 mt -75.01 -42.24 45.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 72.04 111.131 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.05 -32.84 70.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 54.41 110.939 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 49.6 t -75.34 -50.96 22.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 74.13 111.128 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -61.11 -28.8 69.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 74.21 110.864 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -81.96 -45.31 15.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 52.45 110.933 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.4 mp -124.41 70.38 54.44 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.58 0.705 . . . . 72.12 110.869 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 119.11 6.11 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.714 2.276 . . . . 61.35 112.307 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.77 -19.66 15.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 61.33 110.891 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -130.15 176.02 8.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.118 -0.492 . . . . 71.13 110.882 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 61.9 m -110.69 -19.78 12.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 75.44 110.888 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -106.77 -1.96 36.88 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.765 -0.731 . . . . 70.23 112.498 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -65.01 -32.24 73.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.904 0.383 . . . . 74.35 110.884 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.07 -55.19 33.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 72.21 110.886 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.99 -49.8 70.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 74.23 110.864 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 16.8 m -56.35 -31.06 63.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 73.21 111.129 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.405 HD11 ' HA ' ' A' ' 25' ' ' ALA . 2.7 tt -70.7 -44.09 67.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 72.11 110.878 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -52.04 -41.34 62.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.226 -0.443 . . . . 72.35 110.89 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 25.0 mm -73.45 -27.95 24.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 73.24 111.165 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.65 -59.42 3.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 73.21 110.861 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.7 p -54.78 -32.93 26.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 73.03 111.097 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.7 tp -64.65 -44.0 91.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 71.13 110.925 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.57 -39.47 80.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 60.21 110.874 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.31 -48.48 78.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 25.04 111.081 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.76 -37.21 70.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 63.15 110.945 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.09 -44.88 75.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 72.31 111.151 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.516 HG12 HD12 ' A' ' 55' ' ' LEU . 37.6 t -58.29 -36.68 59.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 72.33 111.116 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.697 ' O ' HD12 ' A' ' 56' ' ' ILE . 19.9 m-85 -66.61 -45.68 78.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 72.31 110.888 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.91 -59.09 4.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 73.21 110.94 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 22.2 tp -60.66 -33.56 73.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 74.4 110.946 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.516 HD12 HG12 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -50.29 -66.23 0.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 70.54 110.931 179.866 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.876 HG21 HG21 ' A' ' 70' ' ' VAL . 2.0 mp -68.74 -27.0 34.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 70.12 111.115 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.7 t -48.68 -33.54 10.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 72.23 110.864 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.435 ' HG3' HD12 ' A' ' 59' ' ' ILE . 16.6 ptpt -95.56 -26.9 15.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 74.24 110.91 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.435 HD12 ' HG3' ' A' ' 58' ' ' LYS . 4.0 mt -132.42 100.77 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 62.4 111.163 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.643 HG12 HG22 ' A' ' 56' ' ' ILE . 6.8 m -105.83 155.23 38.62 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.641 0.734 . . . . 75.33 111.119 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 167.79 23.47 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.688 2.259 . . . . 61.42 112.366 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -24.85 29.08 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.665 2.243 . . . . 72.21 112.308 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 56.9 p -77.39 78.1 3.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 72.04 111.192 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.5 p -109.87 23.36 14.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 53.42 110.837 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.1 p -124.02 -62.49 1.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 72.23 110.871 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -138.24 157.27 46.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 73.21 110.869 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.9 t 52.46 73.06 1.01 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.64 0.733 . . . . 73.04 110.856 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -177.92 2.11 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.663 2.242 . . . . 73.2 112.371 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.6 m -139.31 -74.35 0.37 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 42.53 110.887 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.876 HG21 HG21 ' A' ' 56' ' ' ILE . 35.8 m -56.81 -31.49 35.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 73.43 111.121 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.3 -35.49 23.32 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.707 -0.758 . . . . 71.25 112.524 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.71 -48.52 81.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.894 0.378 . . . . 64.11 110.897 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -66.62 -43.48 84.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 75.1 110.924 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.28 -47.95 65.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.116 -0.493 . . . . 64.02 110.908 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 5.0 tmm? -55.67 -48.84 74.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 71.51 110.912 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -67.18 -26.11 66.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 75.33 110.865 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.3 m -72.2 -46.07 57.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 74.22 111.109 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -58.88 -36.81 75.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 63.03 110.877 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 39.1 t -63.3 -62.21 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 71.41 111.158 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.99 -44.87 83.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 62.43 110.95 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 5.8 t -54.23 -47.31 68.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 75.22 111.133 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 23.8 m -53.74 -44.89 70.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 55.32 111.184 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -61.45 -35.65 78.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 73.04 110.853 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.5 t -61.94 -37.86 86.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 64.33 110.851 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 25.7 mm -65.59 -47.4 86.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 60.3 111.15 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 76.5 t -55.28 -37.26 43.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 54.1 111.135 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.451 ' O ' HG23 ' A' ' 91' ' ' VAL . 54.2 m -72.64 -24.82 61.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 52.14 111.149 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.6 m -63.68 -59.27 4.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 61.4 110.897 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 41.8 t -65.12 -40.41 88.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 72.52 111.129 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 8.5 m -55.27 -50.33 69.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 73.15 110.891 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 87' ' ' THR . 38.2 t -58.06 -40.02 75.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 53.14 111.127 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.7 mt -68.89 -34.7 75.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 63.42 110.9 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -156.4 126.38 6.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 64.01 110.9 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 6.4 p -122.71 138.36 53.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 70.1 111.112 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -145.05 175.84 9.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 73.31 110.891 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 58.42 85.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 73.24 110.888 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.22 141.84 22.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 63.5 110.898 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.98 160.55 65.81 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.657 0.741 . . . . 62.24 110.904 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -39.52 6.47 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.676 2.25 . . . . 63.32 112.341 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 61.16 98.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.438 . . . . 62.25 110.903 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.9 p -75.89 -42.29 49.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 61.4 111.122 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -99.35 122.74 42.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 75.34 110.869 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.05 173.12 10.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 55.43 111.139 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 75.55 112.05 0.11 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.799 -0.715 . . . . 54.51 112.448 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -169.58 -160.74 18.55 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.713 -0.756 . . . . 74.21 112.443 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 177.82 179.05 47.79 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 72.54 112.462 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -62.55 175.8 7.12 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.773 -0.727 . . . . 43.53 112.465 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 106.47 12.27 25.29 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.772 -0.727 . . . . 53.12 112.466 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.17 -35.99 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.818 0.342 . . . . 74.41 111.12 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.2 -47.36 77.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 72.32 110.865 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.53 -31.94 73.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 74.32 110.876 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.61 -56.21 13.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 73.4 110.908 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -59.06 -31.89 69.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 62.25 110.883 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -72.25 -49.42 35.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 64.42 110.928 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -54.54 -48.09 72.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 75.23 110.915 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 47.6 pt -66.95 -23.59 31.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 52.4 111.124 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.98 -41.11 87.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 71.53 110.837 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.552 HG22 HD13 ' A' ' 26' ' ' ILE . 22.3 t -69.66 -36.17 69.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 63.44 111.103 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -58.86 -58.83 6.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 62.22 110.903 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.9 p -59.4 -31.79 47.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 74.44 111.153 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.99 -49.22 62.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 74.24 110.87 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.7 t -66.61 -56.4 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 73.24 111.133 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -55.17 -52.32 63.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 75.4 110.896 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -57.45 -52.95 48.65 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.726 -0.75 . . . . 74.34 112.492 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.6 m -56.55 -46.73 80.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.756 0.312 . . . . 52.01 111.107 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 38.3 mt -62.45 -32.25 54.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 74.01 111.099 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -61.83 -53.37 43.76 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.759 -0.734 . . . . 64.31 112.451 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 21.9 ptp -74.79 -31.07 61.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.837 0.351 . . . . 54.43 110.877 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -67.62 -18.71 65.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 75.41 110.888 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.44 2.6 43.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.506 . . . . 74.03 110.946 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.527 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 1.8 tt0 -55.6 -58.45 15.53 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.603 0.716 . . . . 73.13 110.899 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 131' ' ' GLN . 53.5 Cg_endo -69.73 150.93 69.03 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.691 2.26 . . . . 61.14 112.359 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -66.95 -26.31 66.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 60.34 110.914 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -172.44 -179.0 2.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 54.23 110.892 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -66.86 -23.01 65.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 72.1 110.9 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 52.56 59.99 4.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.445 . . . . 75.14 110.843 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 74.43 110.869 -179.937 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.85 0.357 . . . . 71.34 110.879 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -156.44 70.44 0.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 75.12 111.089 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -97.29 16.32 20.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 71.54 110.861 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 55.43 29.56 13.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 55.14 110.929 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.531 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 3.4 tt0 -64.63 -58.41 13.51 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.623 0.725 . . . . 73.53 110.908 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.3 Cg_endo -69.77 -22.27 32.26 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.714 2.276 . . . . 70.23 112.343 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.85 -45.54 70.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 62.42 110.886 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.27 -22.63 61.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 73.41 110.865 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -74.58 -58.05 3.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 71.22 110.895 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.0 t -52.06 -41.02 62.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 72.32 111.122 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.543 HD11 ' HG3' ' A' ' 132' ' ' PRO . 18.0 mm -62.65 -38.59 81.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 73.2 111.112 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.15 -16.06 63.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 61.34 110.874 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.8 -23.68 22.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 75.41 110.908 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.456 HG23 HG23 ' A' ' 125' ' ' THR . 46.8 mm -78.75 -32.32 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 65.3 111.129 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.541 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 1.6 mt -52.34 -57.53 15.1 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.662 0.744 . . . . 74.03 111.148 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.9 Cg_endo -69.75 -33.49 16.5 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.665 2.243 . . . . 71.55 112.374 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 44.5 t -53.73 -58.46 7.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 71.11 110.888 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.8 t -65.33 -41.87 92.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.214 -0.448 . . . . 71.11 111.171 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.3 mt -56.23 -43.61 78.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 63.33 110.886 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.448 HG21 HG23 ' A' ' 45' ' ' VAL . 7.3 mt -59.52 -48.0 88.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 71.44 111.12 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.7 m -56.4 -47.85 78.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.135 -0.484 . . . . 54.1 111.163 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.06 -38.96 62.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 41.45 110.882 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.06 -48.14 79.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.119 -0.491 . . . . 64.44 110.886 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.3 -34.21 76.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 44.14 111.14 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 55.3 mt -73.13 -43.81 57.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 74.4 111.113 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.3 mt -60.91 -31.43 70.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 62.53 110.867 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 42.1 t -71.84 -37.28 61.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 74.23 111.152 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -65.86 -41.14 92.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 74.31 110.895 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -78.18 -34.47 49.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 74.13 110.928 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -130.05 72.04 82.03 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.592 0.711 . . . . 63.44 110.866 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 100.48 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.7 2.267 . . . . 74.42 112.334 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.89 119.44 37.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 63.14 110.844 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 61.08 174.08 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 74.1 110.878 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.0 m -104.55 -14.11 15.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 64.45 110.865 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -82.67 -10.06 83.79 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.765 -0.731 . . . . 51.21 112.486 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.56 -26.2 41.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.908 0.385 . . . . 65.11 110.896 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -68.17 -58.92 3.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.477 . . . . 70.02 110.872 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.03 -43.72 86.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 71.22 110.892 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 6.5 m -61.14 -39.02 88.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 40.2 111.11 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 tp -62.93 -50.13 72.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 63.31 110.926 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.4 t -54.51 -37.12 64.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 55.5 110.915 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 43.7 mt -75.16 -30.46 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 71.52 111.119 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.82 -54.28 12.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 64.01 110.867 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.448 HG23 HG21 ' A' ' 21' ' ' ILE . 7.2 p -61.98 -32.76 55.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 62.03 111.155 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.7 tt -68.86 -50.26 51.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 65.22 110.965 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 17.8 tp -58.69 -39.55 81.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 73.52 110.881 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.58 -54.68 33.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 71.21 111.071 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.596 HD11 ' CG2' ' A' ' 77' ' ' THR . 0.2 OUTLIER -55.19 -34.97 64.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 63.33 110.898 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.4 m -70.62 -38.68 73.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 62.45 111.106 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.2 t -58.92 -44.33 90.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 55.42 111.098 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.657 ' O ' HD12 ' A' ' 56' ' ' ILE . 17.9 m-85 -63.33 -42.71 98.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 71.02 110.927 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.66 -59.28 4.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 72.25 110.929 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.75 -37.47 59.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 74.12 110.914 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 tt -49.76 -66.23 0.43 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 64.13 110.919 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.848 HG21 HG21 ' A' ' 70' ' ' VAL . 1.8 mp -71.35 -20.69 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 75.03 111.101 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.0 t -48.14 -41.3 26.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 73.21 110.794 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.55 -21.88 17.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 74.43 110.896 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 26.0 mm -98.07 66.83 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 71.01 111.126 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 58.1 t -113.45 74.2 2.13 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.572 0.701 . . . . 64.11 111.089 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 167.75 23.58 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.677 2.251 . . . . 64.32 112.34 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -13.24 34.38 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.72 2.28 . . . . 55.13 112.356 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.2 p -66.01 -19.23 65.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 72.12 111.143 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.1 m -91.31 -4.18 56.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 75.31 110.851 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 69.1 m -54.18 -44.56 71.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 50.23 110.851 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.21 116.16 26.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 71.22 110.879 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.8 t 63.02 70.88 0.7 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.642 0.734 . . . . 30.42 110.832 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 150.69 68.51 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.692 2.261 . . . . 73.24 112.333 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.29 -53.28 2.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 72.12 110.824 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.848 HG21 HG21 ' A' ' 56' ' ' ILE . 34.8 m -57.44 -30.24 35.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 72.23 111.107 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -79.77 -32.97 35.25 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.699 -0.763 . . . . 71.31 112.487 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.86 -54.62 32.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.881 0.372 . . . . 74.42 110.944 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -65.36 -34.63 78.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 74.34 110.891 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.8 tp -63.82 -42.15 97.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.482 . . . . 62.51 110.857 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 44.6 ttm -57.5 -47.49 81.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 63.13 110.859 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -73.46 -25.05 60.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 73.15 110.886 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.596 ' CG2' HD11 ' A' ' 49' ' ' LEU . 2.9 m -71.89 -50.55 28.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.116 -0.493 . . . . 62.1 111.105 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -57.01 -43.1 81.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 54.14 110.899 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.9 t -54.13 -62.86 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 64.04 111.144 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.94 -38.23 78.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 65.45 110.92 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.504 HG21 ' HG ' ' A' ' 49' ' ' LEU . 5.3 t -57.97 -55.54 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 60.34 111.086 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.2 m -52.65 -31.7 38.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 73.03 111.159 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -70.7 -44.55 66.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 74.44 110.865 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.28 -30.09 66.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 74.2 110.868 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 43.0 mm -76.08 -40.22 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 75.0 111.143 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 28.0 t -53.64 -50.29 51.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 72.05 111.124 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.7 p -66.06 -37.12 85.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 72.21 111.132 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.57 -48.19 69.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 75.51 110.868 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 51.9 t -70.68 -31.64 46.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 73.12 111.146 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.24 -44.9 78.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 73.43 110.913 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.4 p -79.06 -19.15 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 64.24 111.108 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.7 mt -76.75 -60.08 2.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 72.21 110.898 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -105.13 142.49 34.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 74.44 110.909 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.1 p -153.67 139.79 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 72.03 111.121 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -125.53 56.19 1.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 71.43 110.864 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 20.4 m80 62.92 171.13 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 63.32 110.854 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.28 174.62 3.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 73.33 110.868 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.72 160.5 71.86 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.62 0.724 . . . . 75.35 110.902 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -33.07 17.45 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.686 2.258 . . . . 72.0 112.355 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -101.66 140.19 36.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 64.4 110.873 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 61.8 p -86.31 85.42 7.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 63.54 111.133 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 43.7 m170 -73.86 177.68 5.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 64.31 110.881 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.68 94.34 1.01 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.261 -0.427 . . . . 74.34 111.126 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -77.88 -79.36 0.74 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.761 -0.733 . . . . 74.53 112.493 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 132.91 -38.27 1.89 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.779 -0.724 . . . . 53.25 112.465 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 151.24 -122.79 1.4 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.727 -0.749 . . . . 72.23 112.466 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -140.82 -179.68 18.45 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.783 -0.723 . . . . 54.11 112.533 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 90.18 6.48 68.94 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.704 -0.76 . . . . 25.23 112.496 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.16 -36.02 16.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.774 0.321 . . . . 61.13 111.101 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -69.87 -53.18 19.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 63.21 110.872 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -28.72 65.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 63.53 110.87 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.26 -54.56 23.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 73.21 110.912 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -54.38 -27.44 36.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 63.34 110.888 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.8 mp -67.93 -42.59 80.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 71.54 110.938 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 32.8 t-105 -79.86 -42.32 24.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 71.4 110.902 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -56.15 -24.96 18.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 75.14 111.068 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.15 -63.57 1.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 64.05 110.872 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 52.6 t -54.48 -27.28 17.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 71.14 111.173 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -69.48 -57.08 5.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 74.13 110.906 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 14.3 p -66.87 -27.06 38.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 73.54 111.168 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 68.6 m -76.33 -53.44 8.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 73.34 110.847 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 10.5 t -55.02 -39.34 49.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 65.22 111.132 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -65.81 -59.07 4.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 74.21 110.876 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -56.38 -50.75 60.54 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 74.2 112.475 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.456 HG23 HG23 ' A' ' 15' ' ' ILE . 97.6 m -57.97 -62.66 1.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.773 0.32 . . . . 60.02 111.145 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 17.1 mm -53.87 -28.46 16.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 73.31 111.101 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -56.36 -56.72 22.95 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.718 -0.753 . . . . 72.33 112.511 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 2.3 ptt? -83.1 -22.54 33.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.791 0.329 . . . . 73.14 110.839 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -76.9 -16.33 59.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 65.54 110.859 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.49 -9.09 59.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 71.31 110.885 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.528 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 2.1 tt0 -59.34 -58.42 19.61 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.58 0.705 . . . . 61.04 110.925 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.543 ' HG3' HD11 ' A' ' 12' ' ' ILE . 53.4 Cg_endo -69.79 150.94 68.69 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.665 2.243 . . . . 72.21 112.367 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -66.86 -26.37 66.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.236 -0.438 . . . . 63.13 110.899 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -169.97 -178.79 3.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 70.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -64.79 -20.1 66.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 73.14 110.918 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 56.1 72.72 0.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 72.1 110.903 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 72.41 110.919 -179.963 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.83 0.348 . . . . 65.32 110.902 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.522 ' HB3' ' HB2' ' A' ' 137' ' ' GLU . . . -104.36 170.09 8.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 74.34 111.092 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -128.74 50.38 2.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 70.51 110.904 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 62.86 104.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 74.14 110.912 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.506 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 4.8 tt0 178.57 -59.26 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.62 0.724 . . . . 64.45 110.818 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.7 Cg_endo -69.74 -26.24 27.85 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.708 2.272 . . . . 74.32 112.32 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.698 HD23 HD11 ' A' ' 12' ' ' ILE . 0.3 OUTLIER -69.7 -15.17 63.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 75.33 110.926 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -61.99 -20.01 63.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 73.01 110.927 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.52 ' HE2' HD23 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -75.41 -61.02 2.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 65.4 110.895 -179.866 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.1 t -52.32 -37.26 55.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 50.51 111.147 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.698 HD11 HD23 ' A' ' 8' ' ' LEU . 84.7 mt -64.08 -40.99 91.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 71.52 111.123 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -71.3 -11.83 61.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 63.32 110.909 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.04 -27.81 20.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 70.21 110.892 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.9 mm -79.32 -30.4 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 72.5 111.086 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.541 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 1.4 mm -51.8 -57.51 14.49 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.598 0.714 . . . . 63.11 111.089 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.8 Cg_endo -69.73 -38.29 8.08 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.673 2.248 . . . . 74.14 112.34 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.7 t -52.1 -58.86 5.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 52.34 110.889 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.803 HG22 HG21 ' A' ' 125' ' ' THR . 24.7 t -61.78 -46.15 97.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 74.11 111.114 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.83 -42.99 69.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 74.42 110.942 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.771 HG23 HG22 ' A' ' 45' ' ' VAL . 4.5 mt -54.88 -48.93 73.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 63.3 111.101 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.43 HG23 ' CD2' ' A' ' 117' ' ' PHE . 41.8 m -54.4 -55.02 32.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 71.04 111.094 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.24 -40.69 61.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 63.55 110.865 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.9 -37.5 66.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 73.24 110.911 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.0 -24.97 60.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 75.42 111.133 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.72 HG23 HD11 ' A' ' 114' ' ' LEU . 77.7 mt -84.06 -58.62 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 75.41 111.097 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.17 -29.85 34.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.474 . . . . 62.03 110.863 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.477 HG21 ' HB2' ' A' ' 41' ' ' LEU . 8.4 t -80.18 -43.27 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 72.41 111.102 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -71.4 -16.96 62.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 73.31 110.885 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -90.56 -28.01 18.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 64.32 110.911 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.3 73.36 67.08 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.556 0.693 . . . . 64.13 110.918 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 81.1 0.84 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.641 2.227 . . . . 63.44 112.354 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.1 m -74.3 165.1 25.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 75.21 110.897 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.67 9.88 28.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 75.45 110.851 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 97.2 m -87.98 5.75 39.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 63.05 110.91 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 77.7 27.1 59.53 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.743 -0.742 . . . . 73.15 112.5 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.462 ' HG2' HG22 ' A' ' 28' ' ' VAL . 3.7 tt0 -62.82 -26.35 68.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.938 0.399 . . . . 73.32 110.895 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm -62.68 -54.38 40.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 72.15 110.896 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 20.8 mtt -56.81 -44.9 82.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 75.12 110.859 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 42.0 m -56.63 -41.34 76.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 73.41 111.158 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.477 ' HB2' HG21 ' A' ' 28' ' ' VAL . 1.6 tm? -56.11 -58.09 9.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 74.3 110.907 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.402 ' N ' HD13 ' A' ' 41' ' ' LEU . 1.6 t -53.64 -34.64 59.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 53.44 110.878 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 31.4 mt -72.6 -31.81 38.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 75.34 111.154 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 t -68.48 -51.23 45.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.468 . . . . 73.03 110.852 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.771 HG22 HG23 ' A' ' 21' ' ' ILE . 5.9 t -57.29 -39.53 68.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 71.54 111.155 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.8 tp -67.52 -55.88 11.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.176 -0.465 . . . . 71.31 110.9 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.67 -34.99 60.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 61.32 110.931 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.549 ' HB1' HD11 ' A' ' 21' ' ' ILE . . . -63.75 -37.69 88.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 45.31 111.063 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 32.4 tp -60.22 -50.24 74.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 74.1 110.94 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.3 m -57.77 -40.61 80.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 71.32 111.142 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.5 t -58.91 -39.46 77.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 73.53 111.156 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.664 ' O ' HD12 ' A' ' 56' ' ' ILE . 17.5 m-85 -61.99 -43.06 99.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 63.54 110.852 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.4 mt -51.77 -59.07 4.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 71.54 110.884 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.2 tp -55.84 -33.86 64.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 63.04 110.94 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.52 HD23 ' HE2' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -51.71 -63.64 1.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 75.23 110.899 179.896 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.712 HG21 HG11 ' A' ' 70' ' ' VAL . 2.0 mp -74.4 -25.54 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 71.52 111.115 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.2 t -52.1 -30.11 24.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 55.31 110.805 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.526 ' CG ' HD12 ' A' ' 59' ' ' ILE . 1.2 tppp? -93.82 -50.18 5.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 72.44 110.875 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.526 HD12 ' CG ' ' A' ' 58' ' ' LYS . 3.3 mp -150.21 133.93 8.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 74.21 111.11 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.559 ' HA ' HG23 ' A' ' 56' ' ' ILE . 0.9 OUTLIER -88.91 154.91 50.14 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.602 0.715 . . . . 64.51 111.113 179.872 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 167.72 23.61 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.641 2.227 . . . . 62.14 112.391 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -11.1 30.13 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.681 2.254 . . . . 70.04 112.335 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 67.6 p -57.22 -25.04 58.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 74.34 111.139 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.63 136.15 34.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 74.25 110.886 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.8 t -170.1 -51.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 65.42 110.817 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -103.16 -54.82 2.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 64.24 110.841 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -123.03 160.56 49.04 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.659 0.742 . . . . 73.4 110.829 -179.735 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 129.94 18.48 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.697 2.265 . . . . 71.51 112.34 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.3 t -111.68 -33.8 6.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 65.55 110.842 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.712 HG11 HG21 ' A' ' 56' ' ' ILE . 20.5 m -58.76 -33.65 49.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 64.23 111.124 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -74.09 -47.59 18.05 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.776 -0.726 . . . . 53.31 112.482 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -60.8 -39.51 89.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.88 0.371 . . . . 72.43 110.888 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -61.46 -40.83 95.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 71.24 110.898 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.53 -40.04 70.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.131 -0.486 . . . . 74.35 110.89 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 6.9 ttm -54.24 -56.36 19.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 70.21 110.885 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -63.92 -34.87 78.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 64.21 110.881 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 18.0 m -63.81 -39.79 95.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 71.14 111.132 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.5 mmt -70.32 -30.68 67.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 74.02 110.809 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 10.7 t -67.97 -54.02 25.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 71.22 111.097 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.51 -47.74 80.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 73.43 110.904 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.6 t -51.91 -53.03 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 74.24 111.11 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 97.8 m -51.82 -36.73 49.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 74.43 111.146 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -72.28 -38.74 68.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 74.05 110.879 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.35 -39.63 92.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 62.34 110.876 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 15.8 mm -66.29 -43.31 91.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 72.11 111.138 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 3.8 t -52.72 -43.37 44.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 74.44 111.113 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.62 -29.12 59.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 65.44 111.134 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.84 -56.85 16.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 72.51 110.857 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 14.3 m -69.17 -23.25 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 71.14 111.124 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -67.36 -29.0 68.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 71.44 110.887 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 24.1 t -82.42 -46.16 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 74.42 111.115 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.9 -41.4 96.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 74.3 110.971 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -118.75 86.89 2.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 72.51 110.889 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 14.7 p -96.45 144.85 9.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 74.25 111.108 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -149.62 66.43 1.0 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 64.23 110.801 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -103.0 96.45 6.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 64.53 110.861 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 8.5 mmm180 -80.81 101.15 9.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 71.31 110.891 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -102.9 160.56 25.84 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.638 0.732 . . . . 63.25 110.913 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -47.54 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.71 2.274 . . . . 73.32 112.35 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -158.25 179.68 8.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 50.35 110.85 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 25.1 p -97.13 60.31 1.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 64.3 111.156 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.13 138.34 41.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 75.44 110.845 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.44 109.33 14.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 74.32 111.153 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -144.53 -69.98 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.735 -0.745 . . . . 41.24 112.504 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 160.54 106.43 0.21 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.752 -0.737 . . . . 53.3 112.503 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -174.23 148.64 10.07 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.768 -0.73 . . . . 64.43 112.491 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 105.09 39.25 2.32 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.78 -0.724 . . . . 71.54 112.433 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -111.58 21.09 21.93 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 70.33 112.479 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.43 HG23 ' N ' ' A' ' 110' ' ' ASP . 3.2 tp -50.43 -48.27 25.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.823 0.344 . . . . 73.41 111.109 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.571 ' O ' HD23 ' A' ' 114' ' ' LEU . 11.8 t70 -66.58 -25.46 66.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 75.21 110.868 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.78 -48.68 24.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 75.54 110.917 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.34 -46.22 74.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 65.11 110.927 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -61.04 -27.53 68.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 72.33 110.867 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.72 HD11 HG23 ' A' ' 26' ' ' ILE . 0.5 OUTLIER -67.82 -43.69 79.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 75.54 110.93 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 51.8 t-105 -79.73 -41.67 26.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.175 -0.466 . . . . 74.34 110.894 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -56.27 -25.01 19.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 73.45 111.151 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.43 ' CD2' HG23 ' A' ' 22' ' ' THR . 0.1 OUTLIER -81.13 -60.02 2.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 71.31 110.878 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 97.8 t -51.67 -30.16 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 74.24 111.128 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.56 -57.02 5.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 74.11 110.861 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 11.5 p -65.01 -24.18 34.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 43.3 111.131 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.87 -49.88 16.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 74.23 110.896 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.9 t -53.42 -50.07 50.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 63.03 111.126 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -75.42 -31.36 60.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 75.31 110.86 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -65.62 -58.99 8.18 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.753 . . . . 74.3 112.485 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.803 HG21 HG22 ' A' ' 19' ' ' VAL . 25.7 p -56.36 -45.77 80.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.788 0.327 . . . . 65.1 111.169 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 11.4 mm -52.46 -45.31 45.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 60.13 111.139 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -59.98 -32.06 74.31 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 72.42 112.478 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 35.5 mmm -59.62 -57.71 11.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.78 0.324 . . . . 72.11 110.879 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.51 -14.04 60.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 73.32 110.836 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 1.1 tt -83.15 -15.41 50.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 74.33 110.93 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.529 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 1.3 tt0 -55.03 -58.53 14.26 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.594 0.712 . . . . 60.11 110.902 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 131' ' ' GLN . 53.7 Cg_endo -69.71 150.93 69.18 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.695 2.263 . . . . 60.1 112.362 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -66.91 -26.34 66.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 74.5 110.899 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -171.78 -177.33 1.95 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 63.42 110.912 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -67.9 -13.97 62.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 73.53 110.939 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -89.26 51.19 2.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 73.31 110.913 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.522 ' HB2' ' HB3' ' A' ' 3' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.239 0 CA-C-N 116.184 -0.462 . . . . 64.44 110.931 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.816 0.341 . . . . 74.45 110.863 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -126.24 139.21 53.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 52.51 111.092 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -104.45 3.3 32.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 74.54 110.841 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -103.63 37.04 2.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 62.32 110.898 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.522 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 5.3 tt0 -66.39 -58.43 10.38 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.651 0.738 . . . . 65.52 110.869 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 54.0 Cg_endo -69.74 -23.12 31.26 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.668 2.245 . . . . 65.22 112.372 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.4 -22.46 51.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 74.31 110.951 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.06 -21.37 50.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 63.13 110.89 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -72.69 -56.9 4.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 51.4 110.929 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.3 t -52.25 -40.91 62.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 73.42 111.138 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 34.5 mt -62.12 -43.98 98.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 74.45 111.145 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -67.39 -13.68 62.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 73.21 110.875 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 mt -88.98 -24.22 22.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 71.23 110.884 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.0 mm -79.71 -30.54 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 71.41 111.113 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.539 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 4.0 mt -53.39 -57.47 16.78 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.654 0.74 . . . . 73.22 111.112 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.539 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.8 Cg_endo -69.78 -35.79 11.94 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.636 2.224 . . . . 55.44 112.346 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.4 t -52.26 -56.14 16.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 71.24 110.874 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 43.8 t -64.17 -47.48 89.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 64.22 111.153 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.8 tp -52.43 -46.34 66.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 72.23 110.915 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.431 HG23 HG22 ' A' ' 45' ' ' VAL . 31.4 mt -52.58 -50.97 38.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 73.13 111.148 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.639 HG23 ' CE2' ' A' ' 117' ' ' PHE . 58.2 m -54.16 -51.65 63.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 63.23 111.166 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.4 -40.43 65.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 50.51 110.847 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.21 -46.45 65.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 50.11 110.907 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.32 -30.01 70.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 73.44 111.063 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 94.7 mt -74.92 -45.76 42.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 74.33 111.133 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.0 mt -56.9 -36.7 70.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 74.12 110.945 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 5.0 t -68.94 -46.8 78.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 74.24 111.181 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -58.95 -30.07 67.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 74.22 110.864 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.542 ' O ' HD22 ' A' ' 31' ' ' LEU . 1.7 m-85 -81.45 -35.83 30.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 72.44 110.963 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.542 HD22 ' O ' ' A' ' 30' ' ' TYR . 3.4 mm? -123.37 72.07 47.69 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.578 0.704 . . . . 72.43 110.89 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 96.49 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.713 2.275 . . . . 74.54 112.32 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.2 164.62 23.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 41.15 110.85 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.07 36.77 2.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 72.04 110.855 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 88.6 m -111.17 18.23 19.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 72.55 110.931 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 72.4 21.14 79.55 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.719 -0.753 . . . . 54.05 112.438 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.56 -21.75 66.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.922 0.392 . . . . 54.51 110.895 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.13 -47.82 80.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 61.51 110.939 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 7.2 mtt -76.55 -39.78 51.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 75.45 110.845 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.1 m -54.52 -38.96 67.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 61.14 111.134 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.75 -44.91 54.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 75.22 110.898 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.91 -43.92 77.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 73.31 110.908 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 54.8 mt -76.13 -29.55 19.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 71.4 111.103 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.13 -55.03 13.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 74.42 110.876 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.431 HG22 HG23 ' A' ' 21' ' ' ILE . 17.3 t -55.92 -43.85 76.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 72.24 111.152 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.3 mt -57.64 -34.67 69.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 75.44 110.874 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.5 tp -63.3 -44.39 95.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 72.42 110.917 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.43 -41.56 69.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 65.32 111.118 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.506 HD21 ' CE ' ' A' ' 78' ' ' MET . 48.0 tp -60.73 -48.08 83.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 74.34 110.954 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -52.93 -44.58 67.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 72.45 111.129 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.1 t -62.6 -40.12 87.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 73.24 111.176 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.652 ' O ' HD12 ' A' ' 56' ' ' ILE . 44.7 t80 -53.19 -55.86 20.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 70.44 110.9 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.65 -59.25 4.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 74.0 110.888 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -52.74 -37.67 59.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 74.41 110.928 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.75 -65.96 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 75.31 110.899 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.652 HD12 ' O ' ' A' ' 52' ' ' PHE . 1.8 mp -71.53 -20.7 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 74.45 111.122 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.0 t -48.08 -41.24 25.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 64.41 110.889 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.3 ptpt -95.51 -22.04 17.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 61.33 110.917 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 23.7 mt -98.01 66.87 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 71.14 111.129 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 58.5 t -113.43 74.27 2.13 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.636 0.731 . . . . 42.23 111.135 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 167.75 23.58 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.683 2.255 . . . . 51.04 112.303 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -10.29 28.19 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.643 2.229 . . . . 74.22 112.375 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 68.2 p -87.38 2.98 48.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 55.54 111.114 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.7 m -91.13 -28.46 17.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 72.24 110.869 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.3 t -56.71 159.34 3.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 72.52 110.859 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.8 t0 59.97 94.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 75.55 110.844 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.5 t 56.04 70.88 1.35 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.637 0.732 . . . . 73.24 110.844 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 128.36 15.95 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.669 2.246 . . . . 70.43 112.363 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.38 -44.27 79.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 74.13 110.872 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.583 HG21 HG21 ' A' ' 56' ' ' ILE . 21.8 m -61.78 -23.13 30.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 64.34 111.144 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -76.6 -51.46 6.51 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.688 -0.767 . . . . 52.43 112.502 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -55.08 -55.35 32.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.91 0.386 . . . . 73.02 110.913 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -52.74 -45.32 66.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 72.14 110.922 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.7 tp -56.37 -46.08 80.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 51.4 110.904 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.02 -56.44 16.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 75.32 110.859 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -60.37 -29.17 68.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 73.23 110.861 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 47.1 m -74.34 -31.45 62.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 72.53 111.184 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.506 ' CE ' HD21 ' A' ' 49' ' ' LEU . 1.8 mmt -67.3 -59.78 3.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 60.12 110.88 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 30.6 m -56.62 -30.5 32.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 70.21 111.107 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.6 mt -66.18 -53.87 32.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.447 . . . . 73.02 110.896 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.504 HG21 HD22 ' A' ' 49' ' ' LEU . 61.3 t -60.49 -49.3 84.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 72.31 111.123 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.0 m -52.3 -48.94 65.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 60.41 111.122 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.62 -39.18 64.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 73.44 110.858 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.8 t -60.75 -45.03 95.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 65.24 110.874 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 10.9 mm -58.1 -39.31 72.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 64.32 111.196 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 21.3 t -62.3 -36.16 73.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.12 -0.491 . . . . 44.03 111.15 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.78 -27.21 31.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 72.43 111.125 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.81 -43.97 86.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 73.2 110.861 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.8 t -83.5 -40.52 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 71.15 111.146 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 1.9 m -56.58 -29.52 62.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 72.34 110.887 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 41.8 t -86.72 -45.96 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 71.23 111.147 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.89 -41.87 68.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 74.42 110.961 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -162.43 123.63 2.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 71.45 110.891 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.1 p -88.68 161.32 2.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 61.22 111.168 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -176.8 -46.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 62.04 110.891 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 36.7 m-70 -102.22 -171.76 2.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 71.11 110.858 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 62.5 mtt-85 -140.99 145.98 36.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 64.41 110.876 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.12 160.58 82.43 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.68 0.752 . . . . 63.14 110.809 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -42.09 3.73 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.661 2.24 . . . . 64.54 112.376 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -111.46 124.35 52.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 63.15 110.882 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 7.0 p -134.03 161.16 35.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 63.4 111.188 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -105.17 145.75 30.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 63.32 110.844 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.67 145.53 55.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 74.51 111.136 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 63.64 165.33 0.74 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.748 -0.739 . . . . 74.34 112.521 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -149.97 -91.1 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.725 -0.75 . . . . 64.3 112.462 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 107.0 -10.38 40.37 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.702 -0.761 . . . . 51.43 112.455 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 88.12 28.52 22.78 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.721 -0.752 . . . . 62.12 112.503 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -109.66 9.3 32.41 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.681 -0.771 . . . . 64.42 112.5 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.23 -35.95 16.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.81 0.338 . . . . 61.41 111.121 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -60.2 -53.05 62.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 75.51 110.865 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -65.19 -27.14 68.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 74.53 110.851 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -67.45 -57.43 6.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 71.21 110.91 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -55.31 -31.79 61.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 50.4 110.884 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.621 ' O ' HG23 ' A' ' 118' ' ' VAL . 0.2 OUTLIER -77.8 -47.56 18.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 51.14 110.895 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 36.2 t90 -61.28 -50.46 72.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 70.34 110.942 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 2.1 pp -61.34 -30.78 48.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 72.24 111.151 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.639 ' CE2' HG23 ' A' ' 22' ' ' THR . 14.1 t80 -76.07 -37.58 58.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 75.31 110.878 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 114' ' ' LEU . 72.4 t -68.32 -37.01 77.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 73.44 111.108 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -61.05 -57.48 12.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 75.34 110.867 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.4 p -57.77 -29.04 34.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 73.54 111.16 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -70.15 -41.14 74.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 64.24 110.88 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 33.6 t -77.72 -60.51 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 74.22 111.083 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -56.24 -43.99 79.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 74.22 110.855 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -61.34 -57.01 20.31 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.78 -0.724 . . . . 73.22 112.528 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 6.6 m -59.61 -49.85 76.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.765 0.317 . . . . 73.14 111.155 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 17.6 mm -56.99 -37.7 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 71.53 111.121 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -58.2 -60.25 9.31 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.748 -0.739 . . . . 63.24 112.458 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 19.6 ptp -66.4 -21.52 66.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.825 0.345 . . . . 74.13 110.864 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -82.95 -14.48 54.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 64.03 110.825 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.34 -13.41 56.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.174 -0.467 . . . . 73.04 110.973 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.523 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 0.8 OUTLIER -51.17 -58.67 9.7 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.593 0.711 . . . . 71.55 110.915 179.909 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 131' ' ' GLN . 53.4 Cg_endo -69.76 150.97 68.89 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.666 2.244 . . . . 74.03 112.334 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -66.92 -26.29 66.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 71.53 110.938 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -171.84 177.59 3.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 74.14 110.879 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -54.44 -33.78 60.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 70.51 110.908 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 55.22 89.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 62.34 110.883 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 75.23 110.86 -179.881 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.862 0.363 . . . . 72.33 110.891 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -177.35 -49.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 74.22 111.076 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -96.89 13.87 27.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 75.44 110.899 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 55.99 61.86 2.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.495 . . . . 72.14 110.855 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.527 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 5.3 tt0 -66.05 -58.43 10.95 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.639 0.733 . . . . 64.31 110.854 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.9 Cg_endo -69.71 -34.59 14.45 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.677 2.251 . . . . 71.12 112.33 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.85 -19.13 63.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 62.43 110.917 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -85.59 -25.27 26.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 63.02 110.878 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -68.44 -51.04 48.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 72.1 110.933 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.57 ' O ' HD12 ' A' ' 15' ' ' ILE . 4.9 t -54.25 -39.64 67.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 64.33 111.126 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 90.8 mt -63.95 -44.06 97.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 75.12 111.113 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.58 -12.92 61.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 75.03 110.853 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.3 tt -88.67 -25.14 22.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 72.3 110.955 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.57 HD12 ' O ' ' A' ' 11' ' ' THR . 2.1 mt -79.31 -31.62 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 64.22 111.167 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.546 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 1.1 mm -51.76 -57.49 14.51 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.669 0.747 . . . . 74.45 111.137 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.546 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 54.0 Cg_endo -69.75 -37.39 9.26 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.639 2.226 . . . . 64.44 112.391 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.6 m -52.48 -58.2 7.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 74.43 110.904 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 99.6 t -62.18 -30.85 49.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 63.14 111.141 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.6 tt -64.33 -48.48 75.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 74.25 110.924 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 31.9 mm -52.62 -49.78 43.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 74.43 111.131 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.6 m -53.96 -49.74 68.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 70.15 111.141 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.68 -37.47 68.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 74.11 110.876 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.06 -42.17 76.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 75.23 110.915 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.6 -34.62 76.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 72.42 111.12 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 78.9 mt -72.98 -33.09 42.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 75.53 111.157 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.65 -37.38 73.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 75.31 110.95 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 51.8 t -63.83 -42.9 97.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 73.24 111.081 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -69.33 -26.24 64.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 71.23 110.895 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -89.39 -8.14 53.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 71.11 110.93 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -139.76 70.53 36.98 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.609 0.719 . . . . 72.5 110.937 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 92.96 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.682 2.255 . . . . 73.44 112.361 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 m -124.45 126.72 46.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 34.14 110.867 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 62.45 171.98 0.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 72.24 110.874 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -102.64 -23.9 13.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 53.44 110.902 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -74.77 -14.38 81.48 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 64.14 112.492 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -69.65 -39.89 76.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.895 0.379 . . . . 71.21 110.884 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.24 -51.18 70.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 74.12 110.875 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.5 mtt -59.79 -30.17 68.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 64.24 110.886 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.5 m -70.53 -33.73 71.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 63.54 111.186 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.494 ' O ' HG12 ' A' ' 45' ' ' VAL . 24.4 tp -62.79 -52.71 62.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 70.42 110.933 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 37.1 t -55.95 -40.49 73.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 53.51 110.848 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 78.5 mt -73.63 -23.81 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 73.23 111.149 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.4 t -76.56 -62.81 1.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 74.45 110.81 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.494 HG12 ' O ' ' A' ' 41' ' ' LEU . 3.1 p -53.25 -31.14 17.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 54.1 111.118 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 32.5 tp -72.92 -45.06 60.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 73.32 110.896 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 29.3 tp -54.59 -43.34 72.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 64.53 110.842 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.67 -41.38 99.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 74.31 111.104 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.643 HD12 HG21 ' A' ' 81' ' ' VAL . 0.6 OUTLIER -55.75 -57.52 11.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 74.31 110.918 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.5 p -59.27 -37.79 78.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.13 -0.486 . . . . 61.43 111.11 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.7 t -59.37 -48.62 86.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 60.53 111.16 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.669 ' O ' HD12 ' A' ' 56' ' ' ILE . 15.6 m-85 -53.16 -47.76 68.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 72.41 110.907 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.74 -59.12 4.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 74.14 110.928 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.86 -37.99 60.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 71.21 110.915 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.63 -65.7 0.52 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 53.43 110.932 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.956 HG21 HG21 ' A' ' 70' ' ' VAL . 1.9 mp -71.12 -21.12 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 73.31 111.157 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.6 t -48.73 -41.06 30.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 75.22 110.873 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.564 ' O ' HD13 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -95.48 -22.75 17.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 75.14 110.912 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.564 HD13 ' O ' ' A' ' 58' ' ' LYS . 18.3 mm -119.8 63.09 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 53.24 111.122 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.538 ' HA ' HG22 ' A' ' 56' ' ' ILE . 2.9 m -50.89 156.58 1.62 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.62 0.724 . . . . 75.43 111.094 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.82 167.73 23.67 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.702 2.268 . . . . 73.14 112.342 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -19.13 36.29 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.635 2.224 . . . . 61.42 112.344 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -172.25 115.13 0.33 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 75.41 111.211 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.6 p -124.31 6.57 8.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 63.34 110.845 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.82 -22.59 61.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 70.23 110.813 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -151.75 117.22 5.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 71.23 110.843 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.6 m 53.35 71.54 1.38 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.657 0.741 . . . . 53.43 110.809 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 174.95 8.78 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.694 2.263 . . . . 52.55 112.336 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -113.54 -63.76 1.4 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 52.21 110.836 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.956 HG21 HG21 ' A' ' 56' ' ' ILE . 34.1 m -64.76 -31.52 54.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 64.11 111.15 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -73.75 -43.45 35.43 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.756 -0.735 . . . . 64.34 112.488 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -58.67 -54.08 51.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.87 0.367 . . . . 75.13 110.901 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -52.62 -47.32 67.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.12 -0.491 . . . . 72.22 110.931 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.86 -37.73 71.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.107 -0.497 . . . . 64.43 110.885 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -56.64 -48.43 77.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 71.43 110.87 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.53 -32.16 70.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 72.32 110.866 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 16.0 m -71.81 -36.12 70.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 54.25 111.167 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.1 mmt -57.55 -58.92 6.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 73.13 110.874 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 7.0 p -59.06 -36.57 63.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 44.32 111.099 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.59 -50.36 69.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 70.23 110.936 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.643 HG21 HD12 ' A' ' 49' ' ' LEU . 42.8 t -60.58 -41.76 89.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 71.13 111.125 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.2 m -55.22 -39.03 69.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 52.11 111.154 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.97 -42.02 97.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 75.33 110.943 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.62 -40.71 97.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 62.01 110.865 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 9.2 mm -56.74 -44.33 81.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 74.42 111.121 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 65.4 t -58.88 -43.77 89.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 73.42 111.154 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 27.3 m -69.89 -33.25 71.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 73.5 111.197 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.61 -44.43 77.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 63.11 110.881 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 14.3 t -75.52 -30.79 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 74.44 111.094 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.62 -42.17 98.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 71.11 110.883 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.6 t -78.87 -35.21 17.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.475 . . . . 62.24 111.097 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.4 tp -64.6 -48.76 73.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 62.53 110.937 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -132.31 143.35 49.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 71.21 110.912 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.1 p -164.73 138.62 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 74.44 111.12 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -169.57 177.6 4.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 72.45 110.878 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 61.72 169.62 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 65.35 110.868 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.14 148.3 4.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 73.42 110.896 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.74 160.57 52.78 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.65 0.738 . . . . 71.33 110.875 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -33.04 17.31 Favored 'Trans proline' 0 N--CA 1.466 -0.146 0 C-N-CA 122.699 2.266 . . . . 72.4 112.317 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -93.81 166.21 12.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 62.3 110.879 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 47.6 p -119.34 37.55 4.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 71.42 111.145 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -87.63 -39.46 15.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 72.4 110.855 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.06 132.97 41.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 54.33 111.168 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 106.43 149.38 16.78 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.743 -0.742 . . . . 70.44 112.513 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -130.76 52.89 0.82 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.788 -0.72 . . . . 70.54 112.553 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.43 -95.97 2.09 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.768 -0.73 . . . . 75.21 112.487 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -164.71 36.82 0.29 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.795 -0.717 . . . . 72.11 112.538 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -109.69 13.77 32.41 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.709 -0.758 . . . . 60.22 112.516 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.2 -35.94 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.833 0.349 . . . . 63.35 111.18 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -57.98 -46.63 84.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 65.15 110.834 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -63.26 -32.64 74.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 75.23 110.863 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.3 mt -67.85 -43.02 80.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 73.42 110.924 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -66.68 -39.27 88.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 65.14 110.874 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.39 -44.07 75.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 75.43 110.921 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 5.8 t90 -57.02 -57.35 12.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 72.42 110.921 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 42.7 pt -56.71 -26.18 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.421 . . . . 74.25 111.14 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -79.51 -34.47 41.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 71.11 110.889 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.47 ' O ' HG23 ' A' ' 122' ' ' VAL . 34.2 t -75.18 -38.22 41.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 72.32 111.135 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -64.87 -47.8 76.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 71.0 110.861 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 13.7 p -66.77 -28.82 44.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 74.53 111.162 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 44.2 t -72.74 -32.21 65.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 73.42 110.88 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.478 HG12 HD12 ' A' ' 126' ' ' ILE . 74.4 t -81.09 -61.07 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 74.23 111.088 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -60.64 -27.56 67.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 74.21 110.868 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -71.04 -53.34 10.93 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.76 -0.733 . . . . 54.52 112.455 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 28.5 m -64.0 -39.55 94.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.717 0.294 . . . . 73.31 111.133 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.478 HD12 HG12 ' A' ' 122' ' ' VAL . 70.0 mt -68.06 -24.8 30.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 72.31 111.147 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -70.95 -46.39 45.1 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.718 -0.753 . . . . 30.33 112.511 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 19.9 ptp -78.9 -22.13 46.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.735 0.302 . . . . 75.32 110.844 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -82.51 -44.73 15.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 74.41 110.859 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.06 2.83 56.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 73.41 110.946 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.532 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 1.9 tt0 -52.31 -58.43 11.63 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.552 0.692 . . . . 74.12 110.878 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 131' ' ' GLN . 53.8 Cg_endo -69.75 150.93 68.91 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.741 2.294 . . . . 53.25 112.348 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -66.91 -26.35 66.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 74.12 110.919 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -173.88 -77.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 74.31 110.85 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -110.62 -29.41 8.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 74.04 110.93 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 52.49 83.06 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 75.42 110.867 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 63.11 110.836 -179.906 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.528 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.5 tt0 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 121.694 0.759 . . . . 74.33 110.922 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.1 Cg_endo -69.83 -28.47 24.87 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.656 2.238 . . . . 74.41 112.324 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.476 HD23 ' CG1' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -75.6 -15.32 60.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.447 . . . . 72.23 110.854 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -60.53 -27.81 67.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 72.02 110.886 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -74.92 -60.6 2.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 63.1 110.898 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.695 ' O ' HD12 ' A' ' 15' ' ' ILE . 4.0 t -52.65 -40.91 63.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 72.23 111.105 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.476 ' CG1' HD23 ' A' ' 8' ' ' LEU . 11.6 mm -64.35 -44.34 97.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 62.43 111.119 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -68.87 -12.58 61.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 74.32 110.905 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.0 tt -88.96 -25.62 21.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.119 -0.491 . . . . 60.24 110.917 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.695 HD12 ' O ' ' A' ' 11' ' ' THR . 1.9 mt -79.26 -31.55 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 63.04 111.136 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.537 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 3.5 mt -51.89 -57.41 14.95 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.625 0.726 . . . . 73.54 111.125 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.6 Cg_endo -69.78 -36.21 11.16 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.699 2.266 . . . . 63.15 112.313 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.5 t -52.0 -57.5 9.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 61.02 110.858 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.498 HG22 HG21 ' A' ' 125' ' ' THR . 23.5 t -62.76 -33.33 59.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 73.33 111.153 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 34.8 mt -64.96 -46.32 82.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 71.0 110.937 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.5 mt -52.83 -47.98 51.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 73.34 111.11 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 71.3 m -53.18 -50.5 64.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 64.52 111.131 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.27 -39.16 66.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 71.54 110.885 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.09 -41.38 71.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 72.04 110.878 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.96 -27.08 64.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 71.34 111.088 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.431 HD11 HG22 ' A' ' 118' ' ' VAL . 97.2 mt -80.51 -35.69 15.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 75.32 111.092 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.49 -36.7 85.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 73.33 110.913 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.9 t -70.88 -47.08 64.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 71.53 111.125 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -61.33 -23.56 65.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 74.42 110.886 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -84.78 -26.18 27.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 74.24 110.932 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 mp -116.07 71.69 4.33 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.666 0.746 . . . . 61.14 110.921 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 81.58 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.717 2.278 . . . . 64.5 112.372 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.8 p -124.1 127.29 47.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 64.1 110.858 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 t70 60.8 -177.19 0.11 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 75.24 110.823 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 18.9 m -111.08 -27.59 8.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 73.25 110.859 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.9 -24.11 62.25 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.744 . . . . 55.41 112.484 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -70.83 -36.7 73.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.893 0.378 . . . . 71.04 110.837 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -75.58 -36.13 60.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 73.43 110.909 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -68.96 -44.55 72.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 33.25 110.895 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 6.2 t -72.01 -24.99 61.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 71.04 111.158 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.466 HD13 ' N ' ' A' ' 42' ' ' CYS . 1.6 tm? -64.77 -61.43 2.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 72.33 110.925 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.466 ' N ' HD13 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -53.26 -48.14 68.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 71.54 110.859 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 58.9 mt -60.0 -35.41 60.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 75.35 111.115 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.0 m -68.37 -57.32 6.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 71.43 110.855 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.5 t -52.91 -34.12 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 72.44 111.133 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.6 tp -65.32 -43.56 90.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 74.13 110.919 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.55 -39.65 88.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 62.15 110.886 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.78 -44.87 86.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 54.12 111.063 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.523 HD22 HG21 ' A' ' 81' ' ' VAL . 26.1 tp -65.14 -51.97 57.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.437 . . . . 72.23 110.882 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.3 m -55.03 -44.75 74.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 71.12 111.127 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.5 t -58.77 -41.56 82.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 62.34 111.109 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.656 ' O ' HD12 ' A' ' 56' ' ' ILE . 9.0 m-85 -60.1 -43.77 95.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 75.23 110.882 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.1 tt -51.73 -59.18 4.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.488 . . . . 75.33 110.892 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.92 -37.41 60.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 71.33 110.899 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.9 -65.9 0.48 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 70.42 110.922 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.656 HD12 ' O ' ' A' ' 52' ' ' PHE . 1.8 mp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 64.43 111.153 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 77.7 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.955 0.407 . . . . 72.33 110.884 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.587 ' HB ' HG21 ' A' ' 56' ' ' ILE . 9.1 p -58.01 -32.21 43.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 60.25 111.136 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -68.02 -35.08 83.27 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.766 -0.731 . . . . 41.24 112.47 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -54.66 -61.92 1.99 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.866 0.365 . . . . 70.53 110.926 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -59.37 -30.49 68.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 73.15 110.939 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -41.2 96.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.054 -0.521 . . . . 75.51 110.916 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.85 -56.11 17.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 75.54 110.823 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.93 -36.19 72.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.421 . . . . 71.21 110.902 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.508 ' O ' HG23 ' A' ' 81' ' ' VAL . 2.3 m -71.96 -35.68 69.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 71.41 111.128 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.0 mmt -59.47 -57.0 14.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 61.44 110.907 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 29.2 m -58.16 -31.45 41.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 73.45 111.151 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.37 -46.3 60.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 63.22 110.944 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.523 HG21 HD22 ' A' ' 49' ' ' LEU . 54.0 t -56.26 -46.54 81.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 73.52 111.149 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.6 m -56.14 -44.18 78.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 61.13 111.17 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.84 -40.15 69.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 73.33 110.895 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 32.9 t -64.07 -43.92 93.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 64.32 110.862 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 51.7 mm -57.48 -37.88 60.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 73.41 111.116 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 9.8 t -59.36 -48.44 87.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 70.25 111.123 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 12.2 p -67.29 -39.94 86.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 54.03 111.136 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.94 -47.8 70.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 74.43 110.843 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 93.4 t -73.17 -40.7 58.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.5 . . . . 72.31 111.167 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 1.2 m -53.1 -30.95 39.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 74.53 110.89 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 92.4 t -86.73 -38.83 12.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 74.52 111.065 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.0 tp . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 73.42 110.934 179.99 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.505 -0.238 . . . . 70.13 112.505 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.21 -35.97 16.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.811 0.339 . . . . 72.15 111.136 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -68.09 -52.92 29.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 72.4 110.891 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.7 -26.04 66.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 75.11 110.864 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.96 -49.15 66.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 73.51 110.918 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.01 -24.59 66.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 74.53 110.822 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.87 -44.94 75.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 74.12 110.918 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -79.63 -42.15 25.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 73.34 110.934 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 1.1 tt -56.32 -24.61 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 61.41 111.165 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.405 ' O ' HG12 ' A' ' 120' ' ' VAL . 3.9 t80 -81.11 -59.21 2.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 65.44 110.842 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.518 ' O ' HG23 ' A' ' 122' ' ' VAL . 47.8 t -54.46 -27.05 16.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 62.11 111.123 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.82 -58.78 3.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 74.24 110.889 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.405 HG12 ' O ' ' A' ' 117' ' ' PHE . 8.4 p -59.31 -23.61 25.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 72.0 111.1 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 5.2 m -78.0 -43.31 29.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 75.31 110.906 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 118' ' ' VAL . 24.6 t -58.53 -34.23 50.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 71.43 111.136 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -76.76 -45.69 28.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 61.34 110.87 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -64.55 -52.48 42.78 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 74.4 112.476 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.498 HG21 HG22 ' A' ' 19' ' ' VAL . 70.1 p -56.71 -47.69 79.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.801 0.334 . . . . 61.5 111.176 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 29.4 mt -66.82 -32.79 59.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 62.23 111.109 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -54.38 -50.14 57.64 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.668 -0.777 . . . . 54.24 112.507 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 20.7 ptp -80.03 -20.0 46.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.847 0.356 . . . . 75.12 110.889 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -81.14 -16.26 53.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 73.04 110.86 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 62.52 110.961 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.518 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 5.2 tt0 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 121.628 0.728 . . . . 73.23 110.909 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.4 Cg_endo -69.81 -40.14 5.59 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.655 2.237 . . . . 73.04 112.35 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.93 -15.73 63.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 72.43 110.885 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -60.37 -25.12 65.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 74.24 110.852 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -77.73 -60.79 2.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 65.13 110.926 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.9 t -52.38 -40.84 62.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 73.3 111.14 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.2 mm -62.52 -42.34 95.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 74.31 111.124 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -66.52 -15.48 63.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 64.44 110.925 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.534 HD11 HD11 ' A' ' 56' ' ' ILE . 0.2 OUTLIER -88.69 -24.15 22.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 51.4 110.92 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 46.6 mm -78.71 -32.46 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 71.33 111.127 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.545 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 1.6 mm -51.85 -57.51 14.54 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.62 0.724 . . . . 63.03 111.098 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.545 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 54.2 Cg_endo -69.73 -33.48 16.63 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.689 2.259 . . . . 62.24 112.353 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 44.3 t -52.05 -55.76 18.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 72.23 110.922 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.578 ' CG1' HG21 ' A' ' 125' ' ' THR . 18.4 m -74.88 -22.81 17.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 72.13 111.128 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.6 tt -68.24 -46.12 71.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 75.32 110.898 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.461 ' CG2' HG22 ' A' ' 45' ' ' VAL . 5.4 mt -65.72 -43.49 93.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 64.41 111.134 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.3 m -59.9 -48.66 80.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 54.52 111.092 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.665 ' HA ' HD12 ' A' ' 26' ' ' ILE . 1.9 p -56.17 -39.03 71.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 73.15 110.896 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.4 mt -59.54 -45.59 91.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 72.24 110.932 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.02 -29.47 69.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 71.43 111.069 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.665 HD12 ' HA ' ' A' ' 23' ' ' SER . 53.2 mt -72.3 -38.64 62.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 64.21 111.18 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 mt -60.86 -48.16 83.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 65.12 110.903 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 36.6 t -58.55 -38.04 68.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 63.22 111.151 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -73.51 -25.99 60.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 75.12 110.859 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -85.55 -15.82 41.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.195 -0.457 . . . . 73.33 110.963 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.2 mp -111.56 160.66 28.64 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.608 0.718 . . . . 74.12 110.946 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 97.15 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.739 2.293 . . . . 71.04 112.344 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.44 94.97 1.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 52.14 110.864 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -130.75 21.55 5.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 61.24 110.913 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.35 -20.24 57.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 52.01 110.887 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 140.05 -10.25 3.06 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.76 -0.733 . . . . 61.33 112.502 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.94 -30.04 32.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.855 0.36 . . . . 52.4 110.863 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.26 -54.73 41.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 74.31 110.94 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.6 mtm -57.81 -47.51 82.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 42.35 110.897 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 54.6 m -58.27 -27.62 64.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 73.23 111.176 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.5 HD23 HG23 ' A' ' 45' ' ' VAL . 2.7 tt -76.32 -37.69 57.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 44.14 110.911 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -56.61 -42.2 78.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 72.12 110.866 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 98.2 mt -69.6 -40.41 79.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 42.3 111.121 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 54.2 m -60.68 -53.26 59.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 64.23 110.853 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.5 HG23 HD23 ' A' ' 41' ' ' LEU . 11.1 t -53.35 -41.98 46.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 73.43 111.135 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.4 tp -69.25 -37.65 78.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 53.52 110.934 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.16 -51.67 68.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 70.31 110.951 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.09 -36.93 73.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 41.52 111.099 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.2 tp -64.29 -43.41 94.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 73.21 110.926 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.58 -34.93 71.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 72.01 111.134 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 42.3 t -61.51 -61.6 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 65.31 111.137 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.547 ' O ' HD12 ' A' ' 56' ' ' ILE . 1.4 m-85 -62.61 -37.42 86.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 71.24 110.907 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.8 tp -57.51 -52.96 63.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 63.12 110.867 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.8 tp -57.36 -38.12 73.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 62.34 110.935 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.11 -62.33 1.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 73.52 110.917 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.547 HD12 ' O ' ' A' ' 52' ' ' PHE . 1.7 mp . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 73.33 111.115 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.917 0.389 . . . . 74.11 110.844 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.9 m -70.19 -22.54 24.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 64.33 111.142 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -73.64 -32.47 59.37 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.733 -0.746 . . . . 74.11 112.456 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -62.7 -58.8 6.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.877 0.37 . . . . 65.25 110.906 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -60.3 -37.98 82.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 72.22 110.926 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 25.1 tp -62.92 -39.49 94.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.499 . . . . 75.2 110.886 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 7.1 tpp -56.13 -53.41 57.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 75.2 110.893 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.11 -26.38 65.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 73.3 110.873 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.0 m -69.64 -40.62 76.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 41.12 111.11 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -68.96 -30.17 68.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 72.34 110.892 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 5.6 t -70.83 -51.78 33.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 70.31 111.145 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.63 -46.04 84.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 74.32 110.9 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.3 t -59.1 -40.32 80.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 72.05 111.097 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.494 ' O ' HG23 ' A' ' 86' ' ' VAL . 3.4 m -59.52 -40.43 87.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 70.42 111.199 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -63.66 -42.14 98.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 64.02 110.925 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.09 -56.29 23.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 65.53 110.859 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 27.4 mm -52.65 -43.39 43.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 70.41 111.093 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 82' ' ' THR . 42.6 t -54.38 -39.74 45.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 65.24 111.085 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.424 ' O ' HG23 ' A' ' 91' ' ' VAL . 0.2 OUTLIER -74.75 -30.31 61.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 62.34 111.133 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 75.3 m -67.04 -51.0 60.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 61.44 110.895 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 38.4 t -59.87 -36.16 64.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 63.45 111.115 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 1.2 m -60.73 -43.71 97.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 70.44 110.897 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 87' ' ' THR . 69.7 t -56.14 -50.81 68.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 71.21 111.113 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.7 mm? . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 70.42 110.912 179.962 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.487 -0.245 . . . . 22.23 112.487 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.21 -35.95 16.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.837 0.351 . . . . 74.22 111.132 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -70.86 -53.11 16.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 71.52 110.846 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -26.58 62.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 74.14 110.869 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 31.4 mt -73.6 -54.04 9.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 74.35 110.928 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -60.87 -32.6 72.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 73.42 110.847 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.654 ' O ' HG23 ' A' ' 118' ' ' VAL . 1.4 mm? -71.42 -46.28 60.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 73.43 110.913 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 8.0 t90 -57.22 -55.66 31.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 75.13 110.92 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 26.1 pt -59.58 -25.62 32.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 51.41 111.092 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -74.98 -37.38 61.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 71.24 110.868 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 114' ' ' LEU . 41.1 t -67.55 -29.36 45.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 71.34 111.142 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -71.09 -55.57 7.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 71.13 110.844 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 10.5 p -61.52 -33.57 57.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 63.44 111.14 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -68.91 -55.53 10.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 53.52 110.87 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 70.8 t -63.28 -48.39 87.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 64.52 111.137 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -62.28 -38.59 89.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 61.45 110.826 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -70.03 -57.9 6.62 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.746 . . . . 60.31 112.471 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.578 HG21 ' CG1' ' A' ' 19' ' ' VAL . 38.0 p -54.93 -59.5 4.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.79 0.328 . . . . 74.33 111.175 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 49.8 mm -56.3 -31.83 33.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 73.15 111.11 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -54.63 -55.39 27.53 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.708 -0.758 . . . . 63.24 112.467 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 21.9 ptp -82.12 -22.14 36.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.804 0.335 . . . . 75.44 110.894 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -72.51 -22.32 61.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 75.35 110.89 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.148 -0.478 . . . . 71.1 110.928 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.521 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 1.8 tt0 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 121.637 0.732 . . . . 72.51 110.854 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.6 Cg_endo -69.74 -18.9 36.83 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.664 2.243 . . . . 72.31 112.36 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.26 -16.16 53.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 73.22 110.913 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -58.75 -23.31 59.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 64.4 110.866 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.525 ' OH ' HD21 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -79.29 -60.65 2.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 74.51 110.904 -179.817 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.735 ' O ' HD12 ' A' ' 15' ' ' ILE . 3.7 t -52.18 -40.52 61.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 62.11 111.16 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 91.1 mt -63.16 -43.9 99.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 75.51 111.151 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -67.71 -14.2 62.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 73.33 110.907 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.92 -24.36 22.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.473 . . . . 73.21 110.894 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.735 HD12 ' O ' ' A' ' 11' ' ' THR . 1.3 mp -78.73 -32.19 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 61.33 111.132 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.537 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 3.7 mt -51.97 -57.5 14.72 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.622 0.725 . . . . 75.52 111.107 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.5 Cg_endo -69.77 -33.64 16.16 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.689 2.259 . . . . 74.22 112.319 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.0 t -53.05 -58.72 6.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 71.31 110.878 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 58.2 t -62.86 -45.88 97.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 74.04 111.16 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.5 mt -53.95 -43.0 69.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 72.03 110.952 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.621 HG21 HG23 ' A' ' 45' ' ' VAL . 11.6 mt -55.77 -47.26 79.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 72.11 111.193 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.9 m -58.02 -53.67 55.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 63.23 111.122 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 t -52.81 -39.36 62.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 42.03 110.863 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.73 -42.61 71.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 73.12 110.908 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.95 -32.03 72.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 45.01 111.085 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.48 HD11 HG22 ' A' ' 118' ' ' VAL . 96.8 mt -73.02 -51.27 27.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 74.23 111.156 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.4 mt -52.75 -31.06 36.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 71.13 110.938 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.1 t -70.69 -43.88 77.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 62.12 111.169 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -74.43 -25.63 59.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 62.13 110.882 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.505 ' C ' HD22 ' A' ' 31' ' ' LEU . 0.1 OUTLIER -80.99 -30.83 34.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 71.34 110.988 -179.905 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.505 HD22 ' C ' ' A' ' 30' ' ' TYR . 4.6 mm? -123.24 69.87 41.41 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.631 0.729 . . . . 54.31 110.893 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 85.38 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.703 2.269 . . . . 65.44 112.366 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.9 p -109.06 -35.65 6.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.424 . . . . 63.42 110.869 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -124.25 127.69 48.06 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.177 -0.465 . . . . 75.32 110.903 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 13.3 t -75.74 -26.49 57.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 62.14 110.899 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -79.43 -7.48 88.45 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.752 -0.737 . . . . 64.22 112.426 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -71.57 -28.65 63.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.903 0.382 . . . . 64.32 110.874 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.2 mptt -62.13 -45.36 93.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 73.54 110.884 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.6 mmm -64.52 -48.08 76.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 71.03 110.874 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.457 ' HA ' HD12 ' A' ' 43' ' ' ILE . 71.8 p -56.48 -34.71 67.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 63.41 111.162 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.589 ' O ' HG12 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -64.98 -48.45 73.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 71.12 110.904 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 8.7 t -54.45 -33.32 59.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 70.03 110.897 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.457 HD12 ' HA ' ' A' ' 40' ' ' THR . 9.0 mt -76.39 -42.03 36.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 65.13 111.14 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.56 -53.8 36.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 65.21 110.883 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.621 HG23 HG21 ' A' ' 21' ' ' ILE . 8.2 p -58.03 -32.85 44.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 74.22 111.148 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.68 -41.21 54.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 75.12 110.926 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.6 tp -59.7 -51.23 70.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 63.25 110.974 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.17 -50.63 66.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 70.01 111.081 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 54.1 mt -62.64 -26.88 68.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 64.23 110.93 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 99.1 m -81.23 -26.75 35.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 70.14 111.123 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.7 t -65.83 -60.61 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 71.22 111.143 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.599 ' O ' HD12 ' A' ' 56' ' ' ILE . 12.4 m-85 -63.69 -38.41 91.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 74.44 110.897 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 23.8 tp -53.61 -54.87 31.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 64.34 110.931 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.58 -34.03 66.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 63.1 110.943 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.525 HD21 ' OH ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -52.11 -57.38 9.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 61.24 110.973 179.837 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.599 HD12 ' O ' ' A' ' 52' ' ' PHE . 3.7 mp . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 71.32 111.118 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.871 0.367 . . . . 64.12 110.844 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.57 HG21 HG21 ' A' ' 56' ' ' ILE . 10.6 p -64.52 -33.36 62.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 73.23 111.139 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -63.47 -39.06 97.28 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.776 -0.726 . . . . 73.2 112.444 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.33 -52.89 62.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.844 0.354 . . . . 74.52 110.866 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -68.35 -40.14 81.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 75.45 110.968 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 11.7 tp -57.15 -46.09 83.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 71.11 110.937 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 1.5 ttt -57.75 -53.04 62.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 52.23 110.864 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -61.7 -32.45 72.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 73.42 110.906 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.445 ' O ' HG23 ' A' ' 81' ' ' VAL . 1.5 m -69.0 -51.6 37.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 71.43 111.148 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.9 mmt -57.29 -42.34 81.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 63.03 110.878 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 40.7 t -54.46 -57.87 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 75.25 111.126 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.71 -42.09 96.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 63.54 110.887 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 77' ' ' THR . 24.8 t -55.05 -51.33 55.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 70.34 111.165 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.457 ' O ' HG23 ' A' ' 86' ' ' VAL . 7.2 m -51.88 -45.16 64.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 73.41 111.13 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -68.6 -45.13 72.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 74.05 110.845 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.75 -47.67 70.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 52.11 110.859 -179.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 29.3 mm -61.1 -41.06 87.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 64.22 111.107 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 82' ' ' THR . 54.8 t -60.82 -43.85 96.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 74.24 111.117 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.29 -33.93 65.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 75.42 111.148 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.75 -61.35 2.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 74.4 110.859 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 34.8 m -65.23 -22.19 30.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 75.41 111.114 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 8.6 t -69.0 -31.17 69.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 61.13 110.848 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 37.1 t -89.36 -35.58 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 62.11 111.124 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.4 tp . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 73.25 110.895 179.986 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.502 -0.239 . . . . 72.13 112.502 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.2 -35.99 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.83 0.348 . . . . 74.14 111.122 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.511 ' O ' HD12 ' A' ' 114' ' ' LEU . 6.7 m-20 -67.71 -55.39 13.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 72.32 110.863 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -29.48 67.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 63.11 110.879 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.0 mt -64.41 -56.08 16.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 75.11 110.923 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.25 -24.6 64.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 75.42 110.879 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.511 HD12 ' O ' ' A' ' 110' ' ' ASP . 0.3 OUTLIER -68.25 -43.37 78.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 71.55 110.926 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -80.21 -42.38 23.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 74.22 110.906 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 1.1 tt -56.32 -24.74 18.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.27 -0.423 . . . . 65.13 111.124 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.13 -59.24 2.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 74.22 110.842 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.48 HG22 HD11 ' A' ' 26' ' ' ILE . 65.7 t -52.53 -29.43 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 70.12 111.162 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -69.52 -61.33 1.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 74.02 110.88 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 9.3 p -60.88 -30.48 47.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 71.21 111.109 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.52 -46.13 77.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 71.12 110.907 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 19.5 t -68.25 -37.94 78.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 74.24 111.136 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -62.23 -55.78 25.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 72.51 110.864 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -63.38 -47.47 87.28 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.726 -0.749 . . . . 61.22 112.52 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.8 m -58.14 -58.82 6.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.774 0.321 . . . . 64.25 111.185 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 17.8 mm -57.04 -30.26 33.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 45.23 111.118 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -56.58 -56.76 22.93 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.736 -0.745 . . . . 73.12 112.467 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 11.4 ptp -80.41 -24.0 39.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 70.34 110.888 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -70.99 -14.19 62.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 73.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 71.32 110.911 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.526 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 1.6 tt0 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.635 0.731 . . . . 71.33 110.88 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.7 Cg_endo -69.79 -28.98 24.44 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.676 2.251 . . . . 51.13 112.298 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.819 HD23 HD11 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -65.48 -16.31 63.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.261 -0.427 . . . . 62.13 110.929 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -61.23 -21.08 63.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 72.15 110.864 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -78.57 -60.89 2.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 72.33 110.951 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.2 t -53.67 -40.68 66.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.506 . . . . 51.2 111.14 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.819 HD11 HD23 ' A' ' 8' ' ' LEU . 84.0 mt -63.2 -41.27 92.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 64.04 111.12 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.413 ' HA ' HD12 ' A' ' 16' ' ' ILE . 14.0 t30 -70.71 -11.17 60.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 70.54 110.885 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.588 HD21 ' CD1' ' A' ' 52' ' ' PHE . 0.6 OUTLIER -89.01 -27.53 20.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 72.13 110.934 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.586 HD11 ' CG ' ' A' ' 128' ' ' MET . 40.2 mm -79.3 -30.67 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 74.44 111.11 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.54 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 2.4 mt -51.76 -57.43 14.74 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.653 0.74 . . . . 65.34 111.167 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.54 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.5 Cg_endo -69.79 -37.9 8.47 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.679 2.252 . . . . 75.14 112.329 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -52.6 -49.28 65.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 52.13 110.87 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 15' ' ' ILE . 49.2 t -67.09 -44.25 88.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 65.14 111.135 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -57.29 -41.26 79.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 62.45 110.926 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.716 HD11 ' HB1' ' A' ' 48' ' ' ALA . 11.5 mt -57.5 -46.89 85.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 52.31 111.141 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.48 HG23 ' CD1' ' A' ' 117' ' ' PHE . 30.0 m -63.91 -52.96 57.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 73.45 111.11 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.21 -36.18 60.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 73.24 110.878 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.85 -43.88 97.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 74.12 110.935 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.17 -32.82 73.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 74.24 111.069 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 63.4 mt -72.9 -40.91 60.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 71.41 111.124 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -66.07 -41.38 90.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 53.43 110.954 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.1 t -56.71 -54.73 25.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 64.52 111.139 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.592 ' CB ' HD11 ' A' ' 114' ' ' LEU . 0.9 OUTLIER -57.37 -28.65 63.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 74.32 110.892 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -81.18 -24.98 37.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 74.13 110.924 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 mp -119.9 68.68 12.6 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.62 0.724 . . . . 63.43 110.893 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 80.55 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.64 2.227 . . . . 63.51 112.36 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.59 -32.84 58.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 75.14 110.894 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -165.97 173.76 10.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 64.12 110.834 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 59.5 m -82.9 -22.49 33.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 74.34 110.853 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -78.42 -18.32 76.19 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.799 -0.715 . . . . 74.35 112.505 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -53.68 -39.86 65.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.961 0.41 . . . . 73.24 110.892 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -57.28 -42.67 82.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 74.24 110.899 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.16 -39.82 83.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 72.32 110.91 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.7 m -63.49 -37.22 86.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 55.53 111.198 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.1 tp -70.44 -34.31 72.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 70.32 110.903 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 51.8 t -59.06 -41.08 87.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 51.42 110.888 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.9 mt -71.72 -36.47 59.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 54.1 111.144 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.5 t -68.07 -54.5 17.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 70.35 110.874 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.659 HG23 HG23 ' A' ' 21' ' ' ILE . 0.7 OUTLIER -60.98 -22.97 28.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 74.41 111.111 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.04 -49.63 55.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 73.4 110.905 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.546 ' O ' HG23 ' A' ' 51' ' ' VAL . 4.5 mp -58.42 -34.2 70.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 75.22 110.895 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.716 ' HB1' HD11 ' A' ' 21' ' ' ILE . . . -58.94 -52.71 64.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 64.05 111.123 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.66 HD21 ' CG2' ' A' ' 77' ' ' THR . 0.2 OUTLIER -56.32 -34.76 66.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 72.2 110.919 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.1 -32.59 74.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 63.22 111.13 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 47' ' ' LEU . 36.9 t -64.62 -48.09 86.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 72.33 111.146 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.695 ' CE1' HD11 ' A' ' 56' ' ' ILE . 11.7 t80 -55.02 -45.28 75.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 73.12 110.873 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.37 -58.43 8.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 63.1 110.965 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.4 tp -53.22 -33.63 53.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 71.45 110.924 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.23 -59.44 4.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 73.35 110.921 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.695 HD11 ' CE1' ' A' ' 52' ' ' PHE . 4.0 mp . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 63.34 111.143 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.7 t . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.886 0.374 . . . . 63.15 110.851 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.9 m -59.7 -32.6 49.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 71.34 111.149 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -80.21 -39.43 15.84 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.775 -0.726 . . . . 64.24 112.468 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.45 -62.0 2.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.833 0.349 . . . . 74.4 110.894 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -56.26 -45.94 79.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 74.04 110.937 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 31.4 tp -58.5 -31.13 67.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 73.33 110.926 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 2.7 tpt -61.38 -52.41 64.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 73.32 110.908 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -67.54 -25.8 65.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 74.34 110.885 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.66 ' CG2' HD21 ' A' ' 49' ' ' LEU . 4.8 m -72.9 -32.8 65.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.111 -0.495 . . . . 42.15 111.135 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 7.9 mmt -71.83 -55.41 7.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 73.34 110.823 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 6.7 p -52.35 -35.43 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 65.4 111.165 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.9 mt -69.63 -53.13 20.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 65.03 110.906 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 77' ' ' THR . 97.0 t -54.77 -33.68 28.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 74.42 111.101 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 72.6 m -64.29 -44.29 92.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 72.41 111.165 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -62.74 -33.33 74.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 63.32 110.883 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.5 t -63.14 -45.3 92.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 62.31 110.851 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 26.3 mm -61.64 -38.22 79.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 73.44 111.151 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 69.0 t -61.28 -46.87 95.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 74.2 111.117 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 25.4 p -71.09 -30.98 67.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 33.5 111.139 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.3 t -59.37 -53.03 62.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 53.41 110.894 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 59.5 t -61.45 -36.29 72.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 72.14 111.1 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -53.42 -48.51 68.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 62.32 110.893 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 94.6 t -69.82 -27.05 31.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 73.14 111.148 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.2 tp . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 75.13 110.913 179.955 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.47 -0.252 . . . . 65.43 112.47 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.17 -35.98 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.84 0.352 . . . . 74.52 111.162 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -74.58 -55.53 5.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 73.31 110.864 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.43 -30.23 39.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 73.22 110.883 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 18.4 mt -69.72 -42.13 74.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.147 -0.479 . . . . 64.45 110.932 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -75.01 -23.74 58.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 71.53 110.906 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.592 HD11 ' CB ' ' A' ' 29' ' ' PHE . 0.5 OUTLIER -78.8 -43.28 25.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.099 -0.5 . . . . 74.23 110.883 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -60.2 -50.87 71.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.24 -0.436 . . . . 74.33 110.963 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 2.4 pp -63.5 -31.45 52.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 73.4 111.124 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.48 ' CD1' HG23 ' A' ' 22' ' ' THR . 0.1 OUTLIER -53.57 -51.13 63.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 72.51 110.878 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 24.3 t -66.6 -36.6 77.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 53.01 111.108 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -54.86 -56.76 15.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 71.44 110.849 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.6 p -65.7 -30.15 49.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 75.35 111.111 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 2.0 t -66.42 -44.84 81.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 53.44 110.882 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 9.3 t -65.11 -38.42 82.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 62.25 111.126 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -65.61 -44.75 85.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 71.21 110.841 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -73.56 -48.59 17.34 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.752 -0.737 . . . . 65.13 112.477 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.442 ' OG1' HG22 ' A' ' 19' ' ' VAL . 10.0 m -53.01 -55.44 23.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.77 0.319 . . . . 74.43 111.117 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 38.0 mm -71.69 -22.59 21.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 71.31 111.136 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -58.55 -40.63 94.78 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.704 -0.76 . . . . 74.33 112.483 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . 0.586 ' CG ' HD11 ' A' ' 15' ' ' ILE . 5.2 mmt -84.86 -30.92 24.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.765 0.317 . . . . 63.45 110.866 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -76.01 -14.22 60.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 52.33 110.896 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 1.9 tt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.497 . . . . 43.43 110.919 -179.975 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.52 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 5.1 tt0 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 121.645 0.736 . . . . 65.32 110.896 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.5 Cg_endo -69.71 -20.66 34.76 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.702 2.268 . . . . 64.22 112.335 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.06 -15.44 47.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 51.33 110.929 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -77.17 -25.01 51.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 75.22 110.875 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.627 ' CE1' HD12 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -70.79 -54.19 12.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 64.41 110.933 -179.855 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.72 ' O ' HD12 ' A' ' 15' ' ' ILE . 5.2 t -57.49 -39.45 76.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 73.02 111.104 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 66.3 mt -63.22 -34.52 67.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 62.33 111.131 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -77.01 -15.65 59.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 72.44 110.925 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.627 HD12 ' CE1' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -88.93 -27.55 20.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 63.1 110.95 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.72 HD12 ' O ' ' A' ' 11' ' ' THR . 2.4 mt -79.44 -30.73 13.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 72.23 111.082 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.533 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 1.5 mm -51.69 -57.49 14.43 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.634 0.73 . . . . 65.24 111.156 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.6 Cg_endo -69.77 -38.21 8.09 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.684 2.256 . . . . 73.35 112.349 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.2 t -52.03 -58.65 5.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 70.3 110.9 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 15' ' ' ILE . 20.4 t -62.91 -47.51 92.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 73.21 111.115 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.9 mt -51.95 -42.23 62.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 72.43 110.92 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.746 HD11 ' HB1' ' A' ' 48' ' ' ALA . 6.1 mt -57.0 -48.32 81.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 72.4 111.149 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 75.3 m -62.9 -54.74 33.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 75.14 111.124 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.66 -46.56 67.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 72.01 110.877 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.3 mt -53.25 -37.4 62.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.496 . . . . 54.5 110.908 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.75 -33.87 64.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 73.0 111.109 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.457 HD11 HG22 ' A' ' 118' ' ' VAL . 86.9 mt -71.67 -50.87 36.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 74.41 111.132 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 67.1 mt -54.59 -41.74 70.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 62.13 110.907 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.795 HG21 ' HB2' ' A' ' 41' ' ' LEU . 5.0 t -57.6 -45.89 86.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 64.41 111.128 179.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -75.77 -23.94 55.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 74.2 110.889 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -81.23 -19.37 43.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 72.43 110.9 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.29 69.8 51.89 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.556 0.693 . . . . 74.34 110.928 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 83.69 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.669 2.246 . . . . 62.52 112.331 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -98.19 -176.48 3.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 60.32 110.879 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.29 35.36 3.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.125 -0.489 . . . . 62.15 110.846 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 m -105.31 -23.77 12.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.445 . . . . 64.42 110.914 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 105.97 34.62 3.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 61.34 112.469 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.422 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.3 OUTLIER -59.97 -25.36 65.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.952 0.406 . . . . 75.04 110.912 -179.861 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -63.4 -58.41 7.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 73.33 110.878 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.5 mmt -61.01 -36.2 78.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 74.43 110.895 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 56.0 m -63.02 -34.1 76.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 73.44 111.117 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.795 ' HB2' HG21 ' A' ' 28' ' ' VAL . 9.9 tp -65.39 -45.48 83.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.262 -0.426 . . . . 62.11 110.947 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.7 t -54.05 -42.28 69.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 73.33 110.885 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 85.2 mt -76.26 -31.32 20.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 74.35 111.094 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.0 t -64.92 -58.48 6.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 63.33 110.891 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.726 HG22 HG23 ' A' ' 21' ' ' ILE . 5.1 t -54.39 -47.39 69.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 75.1 111.109 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.38 -47.08 79.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 71.14 110.955 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.406 ' O ' HG23 ' A' ' 51' ' ' VAL . 12.6 tp -54.5 -39.93 68.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 63.21 110.944 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.746 ' HB1' HD11 ' A' ' 21' ' ' ILE . . . -56.52 -46.47 80.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 61.22 111.09 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.2 tt -54.55 -45.1 73.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 74.23 110.903 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.9 -35.9 71.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 73.41 111.104 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 47' ' ' LEU . 35.7 t -59.37 -45.68 93.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 63.32 111.159 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.687 ' O ' HD12 ' A' ' 56' ' ' ILE . 15.6 m-85 -56.69 -44.14 81.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 70.34 110.892 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.9 tt -51.86 -59.09 4.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 60.44 110.913 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.03 -34.47 65.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 61.15 110.912 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.65 -64.73 0.72 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 64.34 110.932 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.687 HD12 ' O ' ' A' ' 52' ' ' PHE . 3.1 mp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 71.43 111.106 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.933 0.397 . . . . 71.23 110.861 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 30.7 m -55.6 -34.52 35.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.109 -0.496 . . . . 53.12 111.141 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.05 -51.73 4.6 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.725 -0.75 . . . . 53.44 112.471 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.53 -44.82 65.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.902 0.382 . . . . 75.25 110.878 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -64.9 -43.07 94.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 71.45 110.9 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.31 -42.46 70.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.495 . . . . 73.25 110.868 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 2.2 ttp -61.35 -50.19 73.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 64.41 110.868 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -62.72 -34.13 76.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 64.15 110.914 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 9.6 m -72.13 -34.42 68.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 71.02 111.13 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -61.84 -48.23 81.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 73.32 110.893 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 4.8 p -69.79 -28.24 36.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 70.41 111.13 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.05 -43.37 58.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 62.11 110.9 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 25.1 t -65.4 -46.93 88.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 62.32 111.089 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 33.6 m -52.74 -52.18 57.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 64.01 111.134 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -68.79 -30.04 68.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 75.24 110.881 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.3 m -62.19 -53.51 54.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 73.33 110.85 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 17.4 mm -54.28 -49.31 64.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 72.31 111.101 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 11.3 t -51.82 -58.25 2.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 64.45 111.168 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.89 -29.7 65.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 74.33 111.154 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.47 -60.23 2.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 62.21 110.869 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.72 -32.44 51.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 71.22 111.115 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 2.3 m -59.39 -41.31 89.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 60.12 110.864 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.9 t -74.93 -33.19 29.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 65.43 111.155 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 74.21 110.946 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.462 -0.255 . . . . 43.44 112.462 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.17 -36.0 16.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.822 0.344 . . . . 74.4 111.101 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.615 ' C ' HD12 ' A' ' 114' ' ' LEU . 95.9 m-20 -66.12 -59.25 3.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 60.22 110.858 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -55.18 -27.19 43.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 74.34 110.897 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.0 mt -67.34 -57.33 6.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 72.35 110.936 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.0 -24.56 63.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 74.34 110.884 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.615 HD12 ' C ' ' A' ' 110' ' ' ASP . 0.3 OUTLIER -68.26 -43.29 78.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 74.41 110.948 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 21.6 t90 -80.16 -42.46 23.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 71.13 110.92 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 1.1 tt -56.26 -24.73 18.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 62.22 111.178 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.11 -57.73 3.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 63.24 110.921 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.67 ' O ' HG23 ' A' ' 122' ' ' VAL . 97.9 t -51.78 -29.92 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 71.42 111.112 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -70.85 -57.06 4.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 72.02 110.86 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 10.3 p -63.24 -24.39 35.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 55.52 111.073 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.64 -38.14 67.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 72.43 110.881 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 118' ' ' VAL . 74.8 t -63.84 -43.71 97.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 63.13 111.115 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -66.58 -45.42 79.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 72.15 110.907 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -66.93 -53.92 24.36 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.688 -0.767 . . . . 35.53 112.513 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 53.2 m -53.96 -52.84 59.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.788 0.328 . . . . 70.31 111.176 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 26.3 mt -57.07 -36.55 51.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 75.21 111.159 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -57.53 -37.05 80.6 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.755 -0.736 . . . . 53.25 112.471 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . 0.532 ' HB3' HD11 ' A' ' 15' ' ' ILE . 27.6 mmt -67.02 -46.74 73.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.813 0.339 . . . . 74.41 110.892 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -73.5 -14.02 61.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 74.42 110.868 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.5 tt . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 74.02 110.904 -179.95 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.506 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 6.1 tt0 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 121.656 0.741 . . . . 61.33 110.884 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 54.3 Cg_endo -69.76 -21.24 33.76 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.698 2.266 . . . . 71.43 112.359 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.454 HD23 ' CG1' ' A' ' 12' ' ' ILE . 0.3 OUTLIER -75.28 -16.16 60.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 65.32 110.873 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -61.91 -24.26 66.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 72.15 110.869 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -74.95 -59.74 2.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 75.43 110.871 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.705 ' O ' HD12 ' A' ' 15' ' ' ILE . 4.2 t -54.23 -38.41 65.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.505 . . . . 63.01 111.127 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.454 ' CG1' HD23 ' A' ' 8' ' ' LEU . 6.8 mm -59.54 -47.83 89.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 71.3 111.098 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -67.1 -13.68 62.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 72.43 110.9 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.439 HD11 HD11 ' A' ' 56' ' ' ILE . 0.5 OUTLIER -89.0 -24.38 22.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 72.3 110.918 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.705 HD12 ' O ' ' A' ' 11' ' ' THR . 1.4 mp -78.78 -32.37 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 74.1 111.12 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.541 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 2.0 mm -51.78 -57.44 14.71 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.655 0.74 . . . . 74.22 111.154 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.7 Cg_endo -69.77 -34.49 14.45 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.721 2.281 . . . . 72.44 112.321 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -52.39 -55.4 21.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 72.34 110.877 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.814 HG22 HG21 ' A' ' 125' ' ' THR . 9.1 t -71.47 -28.14 30.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 62.31 111.121 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.0 tt -65.84 -45.55 81.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 72.4 110.916 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.61 ' CG2' HG22 ' A' ' 45' ' ' VAL . 7.3 mt -65.27 -42.42 93.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 63.21 111.17 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -59.14 -49.13 79.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.126 -0.488 . . . . 74.42 111.156 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.504 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -52.49 -45.59 66.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 54.25 110.856 -179.838 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.726 HD22 HD21 ' A' ' 41' ' ' LEU . 0.1 OUTLIER -56.03 -48.91 75.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 43.25 110.897 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.96 -27.01 69.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 70.41 111.061 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.504 HD12 ' HA ' ' A' ' 23' ' ' SER . 48.9 mt -78.97 -46.24 23.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 53.12 111.138 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.09 -41.39 92.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 74.54 110.907 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 43.3 t -64.75 -40.69 89.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 65.23 111.138 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.59 -35.44 74.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 74.52 110.888 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.495 ' C ' HD12 ' A' ' 31' ' ' LEU . 7.2 m-85 -81.9 -26.6 33.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 72.31 110.955 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.495 HD12 ' C ' ' A' ' 30' ' ' TYR . 6.9 mp -133.96 71.13 74.16 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.561 0.696 . . . . 73.44 110.885 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 175.5 7.99 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.685 2.257 . . . . 73.15 112.337 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.52 165.32 27.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 55.44 110.891 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -81.65 -13.26 58.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 70.33 110.894 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -79.55 -6.42 56.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 70.23 110.886 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 75.26 41.68 30.52 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.744 . . . . 64.13 112.509 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -61.27 -31.68 71.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.886 0.374 . . . . 74.12 110.839 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.8 tptt -68.89 -33.83 74.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 75.04 110.893 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.1 mtp -63.35 -58.67 6.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 73.11 110.909 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 5.5 t -57.31 -27.11 61.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 65.11 111.118 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.726 HD21 HD22 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -68.47 -49.87 56.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 64.34 110.922 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.0 t -52.71 -43.21 65.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 75.44 110.903 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 59.9 mt -64.44 -37.63 80.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 64.43 111.114 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.9 m -70.44 -49.63 46.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 73.23 110.855 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.61 HG22 ' CG2' ' A' ' 21' ' ' ILE . 3.5 t -52.21 -40.28 30.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 71.13 111.13 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.23 -45.9 86.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 74.14 110.86 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.513 ' O ' HG23 ' A' ' 51' ' ' VAL . 3.8 tt -61.67 -47.88 83.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 73.12 110.912 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.52 -44.69 72.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 70.21 111.051 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.67 -40.48 92.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 75.23 110.96 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 46.1 m -65.78 -38.37 88.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 74.15 111.13 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 47' ' ' LEU . 64.3 t -59.15 -53.94 41.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.425 . . . . 71.24 111.114 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -65.82 -39.03 90.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 74.45 110.864 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.0 tt -57.65 -37.94 74.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 74.54 110.896 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.6 mp -70.31 -39.38 74.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 64.12 110.923 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.16 -61.57 2.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 75.32 110.875 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.439 HD11 HD11 ' A' ' 14' ' ' LEU . 1.4 mp . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 74.44 111.122 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.917 0.389 . . . . 73.11 110.848 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 34.8 m -60.19 -25.45 33.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 72.35 111.132 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -72.3 -33.88 61.35 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.719 -0.753 . . . . 50.4 112.484 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -63.18 -57.04 11.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 74.33 110.903 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -53.48 -40.86 65.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 73.12 110.919 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.37 -37.77 88.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 61.32 110.883 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 2.1 ttt -59.95 -56.25 24.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 63.03 110.895 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -65.14 -29.09 69.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 44.31 110.904 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 16.4 m -68.83 -48.81 62.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.162 -0.472 . . . . 72.14 111.14 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.8 mmt -57.09 -35.04 68.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 74.21 110.891 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 30.9 t -65.72 -59.72 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 63.3 111.146 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.6 tp -56.89 -45.85 82.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 74.42 110.928 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.7 t -57.13 -47.32 84.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 61.4 111.138 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.8 m -51.93 -42.17 62.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 63.23 111.165 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.98 -50.39 70.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 65.0 110.879 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 82.4 p -64.38 -46.01 85.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 70.32 110.849 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 17.6 mm -58.38 -43.15 85.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 65.32 111.133 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 10.4 t -53.33 -60.94 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 63.3 111.13 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.5 ' O ' HG23 ' A' ' 91' ' ' VAL . 0.5 OUTLIER -57.83 -23.83 54.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 74.24 111.171 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.42 -51.58 59.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 62.23 110.883 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 38.9 t -68.57 -36.83 76.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 74.13 111.125 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 32.6 t -56.1 -33.15 64.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 72.55 110.92 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 87' ' ' THR . 76.0 t -76.79 -37.77 28.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 73.33 111.161 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 62.34 110.911 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.463 -0.255 . . . . 62.22 112.463 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.18 -36.03 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.791 0.329 . . . . 52.22 111.07 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -70.46 -51.96 25.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 74.15 110.879 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -53.72 -38.69 64.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 75.04 110.883 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.0 tp -64.1 -50.64 67.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 74.33 110.874 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -62.93 -37.11 85.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 74.2 110.887 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.0 -46.5 65.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 72.02 110.902 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 24.2 t90 -55.99 -51.92 66.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 74.32 110.923 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 27.9 pt -64.78 -29.47 47.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 72.02 111.126 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -65.58 -35.42 80.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 62.54 110.885 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.632 ' O ' HG23 ' A' ' 122' ' ' VAL . 98.0 t -72.93 -34.47 46.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 72.44 111.153 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.88 -61.85 2.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 73.23 110.835 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 11.2 p -57.29 -29.74 33.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 41.24 111.115 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 1.8 m -73.46 -28.81 62.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 75.24 110.915 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 118' ' ' VAL . 25.7 t -70.41 -61.59 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 73.41 111.14 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -60.76 -27.73 68.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 72.53 110.883 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -68.98 -58.79 6.42 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.725 -0.75 . . . . 74.43 112.444 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.814 HG21 HG22 ' A' ' 19' ' ' VAL . 33.0 p -68.14 -54.09 20.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.761 0.315 . . . . 73.01 111.167 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 33.4 mm -59.64 -32.61 49.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 62.44 111.152 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -57.85 -55.36 30.99 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.75 . . . . 53.31 112.524 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 18.2 ptp -79.38 -22.09 44.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.827 0.346 . . . . 75.44 110.877 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -79.76 -13.99 59.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 72.31 110.885 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 73.13 110.904 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.54 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 5.1 tp10 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 121.667 0.746 . . . . 64.01 110.905 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.54 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 54.0 Cg_endo -69.71 -22.57 32.12 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.679 2.253 . . . . 53.31 112.331 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.46 HD23 ' CG1' ' A' ' 12' ' ' ILE . 0.7 OUTLIER -66.81 -15.17 63.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 73.44 110.89 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -63.65 -26.05 68.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 73.34 110.929 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -75.99 -59.07 2.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 65.44 110.93 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.1 t -52.92 -41.24 64.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 62.43 111.133 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.46 ' CG1' HD23 ' A' ' 8' ' ' LEU . 8.2 mm -61.49 -43.87 97.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 64.23 111.165 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -67.75 -13.25 61.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 70.44 110.921 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.02 -24.65 22.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 60.53 110.896 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.5 mm -78.64 -32.51 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 55.34 111.12 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.538 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 1.8 mm -51.77 -57.51 14.45 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.645 0.735 . . . . 63.44 111.132 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.7 Cg_endo -69.76 -34.0 15.47 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.669 2.246 . . . . 72.54 112.332 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.5 t -52.06 -56.23 15.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.279 -0.419 . . . . 74.15 110.908 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.7 m -70.45 -31.87 48.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 61.25 111.126 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.5 tp -62.26 -45.29 93.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 72.21 110.887 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.736 ' CG2' HG22 ' A' ' 45' ' ' VAL . 11.1 mt -64.0 -39.17 84.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 73.41 111.11 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.0 m -55.97 -52.15 65.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 72.52 111.15 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.07 -42.59 69.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 64.03 110.824 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 mp -59.61 -45.35 92.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 72.01 110.915 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.9 -38.55 91.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 64.51 111.118 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.719 HD11 HG22 ' A' ' 118' ' ' VAL . 96.7 mt -62.24 -41.88 93.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 74.31 111.157 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.57 -30.64 70.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 74.21 110.911 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 18.9 t -67.47 -37.21 78.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 75.51 111.116 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -72.27 -26.91 62.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 72.53 110.896 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.47 ' HB3' HD12 ' A' ' 31' ' ' LEU . 0.8 OUTLIER -80.16 -29.45 38.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 75.42 110.927 -179.844 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.47 HD12 ' HB3' ' A' ' 30' ' ' TYR . 3.6 mp -137.54 73.44 48.72 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.636 0.731 . . . . 54.33 110.915 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 162.73 40.93 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.732 2.288 . . . . 74.52 112.328 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.17 162.2 35.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 63.23 110.844 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -95.42 12.26 29.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 74.13 110.864 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 56.9 m -91.61 13.25 18.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 75.11 110.894 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.35 28.71 59.4 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.742 . . . . 73.51 112.539 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -56.88 -35.72 69.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.888 0.375 . . . . 70.3 110.854 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -61.42 -55.94 25.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 74.4 110.903 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 5.6 mtt -56.37 -42.89 78.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 53.12 110.885 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.9 m -64.27 -53.83 42.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.279 -0.419 . . . . 52.54 111.126 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.488 ' CD1' HG23 ' A' ' 45' ' ' VAL . 0.1 OUTLIER -57.52 -42.93 83.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 71.32 110.907 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 39.0 t -52.41 -46.2 66.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 70.21 110.883 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.6 mt -70.18 -39.63 77.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 71.33 111.163 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.3 -50.77 72.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 73.14 110.855 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.736 HG22 ' CG2' ' A' ' 21' ' ' ILE . 9.4 t -53.86 -46.02 63.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 64.12 111.133 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 49.3 tp -71.83 -24.44 61.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 61.55 110.92 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.645 ' O ' HG23 ' A' ' 51' ' ' VAL . 0.3 OUTLIER -59.6 -49.39 77.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 64.41 110.885 179.907 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.33 -54.91 14.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 74.14 111.131 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -53.5 -32.81 51.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 72.31 110.914 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.1 m -71.09 -36.8 72.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.184 -0.462 . . . . 72.4 111.191 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 47' ' ' LEU . 70.0 t -56.4 -56.31 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 62.31 111.162 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.604 ' O ' HD12 ' A' ' 56' ' ' ILE . 5.3 m-85 -68.38 -47.51 67.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 71.45 110.852 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.27 -53.92 37.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 73.02 110.912 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 28.0 tp -55.76 -34.79 65.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 73.14 110.912 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.23 -56.82 12.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 75.11 110.861 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.604 HD12 ' O ' ' A' ' 52' ' ' PHE . 3.1 mp . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 74.23 111.126 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 63.0 m . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.887 0.375 . . . . 63.14 110.866 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.472 ' HB ' HG21 ' A' ' 56' ' ' ILE . 13.2 m -58.79 -28.0 36.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 71.14 111.147 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -77.74 -33.77 41.22 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.812 -0.708 . . . . 53.24 112.478 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -69.59 -54.76 12.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.839 0.352 . . . . 60.35 110.876 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -62.47 -29.64 70.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 75.32 110.91 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.4 tp -72.93 -36.81 67.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 62.23 110.928 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.84 -58.35 8.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 75.41 110.882 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -64.89 -33.83 76.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 71.13 110.843 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.9 m -55.11 -58.05 9.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 72.54 111.143 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.5 mmt -54.95 -38.71 68.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 61.24 110.879 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 3.7 t -60.74 -43.06 94.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 72.13 111.092 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.1 tp -72.4 -34.35 67.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 73.23 110.887 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.6 t -67.81 -49.08 72.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 73.41 111.155 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 99.0 m -53.41 -44.03 68.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 72.31 111.129 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -57.62 -45.55 85.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 71.42 110.855 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 71.0 m -56.43 -47.11 79.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 65.11 110.86 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 35.8 mm -57.47 -45.48 85.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 74.33 111.11 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 97.3 t -61.39 -26.55 39.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 65.13 111.09 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -79.46 -53.18 7.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 73.32 111.157 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 97.5 p -61.98 -38.55 88.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 65.55 110.866 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 24.7 t -63.83 -44.1 98.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 73.32 111.121 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 2.0 t -58.49 -37.38 75.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 44.35 110.907 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 80.3 t -61.26 -50.82 78.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 71.42 111.108 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 74.51 110.908 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.387 0 N-CA-C 112.526 -0.23 . . . . 45.31 112.526 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.26 -35.91 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.793 0.33 . . . . 64.44 111.156 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -62.7 -45.72 91.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 73.01 110.874 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.89 -41.9 75.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 73.05 110.878 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.33 -50.35 73.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 60.03 110.921 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.4 -31.81 66.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 75.1 110.886 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.42 ' CD2' HG23 ' A' ' 26' ' ' ILE . 0.2 OUTLIER -75.54 -47.7 25.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 74.31 110.938 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 22.2 t-105 -53.14 -43.13 66.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 73.02 110.916 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 30.0 pt -74.28 -24.19 18.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 72.31 111.113 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -73.06 -47.76 41.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 62.43 110.882 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.719 HG22 HD11 ' A' ' 26' ' ' ILE . 16.6 t -68.55 -26.06 32.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 64.24 111.113 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -64.65 -58.52 6.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 63.45 110.929 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.3 p -61.49 -24.64 34.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 71.15 111.158 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -77.83 -57.78 3.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 74.31 110.863 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 47.2 t -62.6 -43.4 98.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 52.43 111.121 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -66.6 -38.44 87.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 71.4 110.884 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -71.55 -57.48 5.98 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.762 -0.732 . . . . 64.44 112.438 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 38.4 p -56.74 -63.91 1.05 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.835 0.35 . . . . 73.15 111.14 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 28.8 mm -53.93 -29.53 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 53.22 111.111 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -53.53 -55.37 25.32 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 73.45 112.462 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 11.4 ptp -83.3 -22.75 32.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.838 0.351 . . . . 72.14 110.884 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -74.11 -15.42 61.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 50.02 110.937 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 1.1 tt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 61.23 110.909 -179.955 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.512 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.4 tt0 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 121.65 0.738 . . . . 64.51 110.903 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 54.1 Cg_endo -69.77 -25.55 28.45 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.706 2.271 . . . . 72.01 112.339 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.427 HD23 ' CD1' ' A' ' 12' ' ' ILE . 0.4 OUTLIER -67.33 -15.54 63.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 54.55 110.934 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -62.86 -20.2 64.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 73.34 110.881 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -73.78 -60.99 2.0 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.179 -0.464 . . . . 70.41 110.893 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.3 t -52.98 -37.01 60.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 72.25 111.14 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.427 ' CD1' HD23 ' A' ' 8' ' ' LEU . 27.2 mt -64.73 -42.18 94.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 75.44 111.128 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.18 -11.75 61.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 61.44 110.933 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.91 -27.15 21.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 63.01 110.914 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.6 mm -79.25 -30.69 14.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 73.53 111.102 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.537 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 0.9 OUTLIER -51.74 -57.49 14.5 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.648 0.737 . . . . 72.2 111.168 179.847 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.6 Cg_endo -69.79 -37.8 8.62 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.677 2.252 . . . . 71.52 112.352 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.0 t -52.22 -53.54 42.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 73.24 110.887 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.1 m -75.26 -25.06 17.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 74.04 111.106 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.1 tp -66.03 -56.38 11.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 52.51 110.946 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.768 HG21 HG23 ' A' ' 45' ' ' VAL . 34.9 mt -58.05 -42.77 83.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 63.1 111.095 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.507 HG23 ' CZ ' ' A' ' 117' ' ' PHE . 26.0 m -52.46 -49.94 63.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 70.44 111.14 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.98 -39.29 71.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 74.24 110.91 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.55 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -59.27 -44.8 92.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 63.41 110.908 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.05 -27.45 68.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 61.44 111.103 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 94.7 mt -77.57 -36.44 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 73.11 111.134 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.2 mp -74.74 -32.63 62.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.201 -0.454 . . . . 64.43 110.914 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 24' ' ' LEU . 53.1 t -64.06 -55.31 22.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 70.24 111.181 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -60.54 -30.13 69.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 64.33 110.831 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -76.92 -38.5 53.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 75.32 110.955 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -116.0 71.02 4.0 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.606 0.717 . . . . 44.32 110.91 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 111.28 2.77 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.678 2.252 . . . . 54.4 112.369 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.29 -18.37 18.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 73.04 110.851 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.9 t0 61.17 42.82 11.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 52.21 110.852 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -108.61 3.3 22.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 74.42 110.857 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 96.4 7.65 57.99 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.751 -0.738 . . . . 63.33 112.512 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -64.32 -27.7 69.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.905 0.383 . . . . 60.23 110.876 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.64 -53.22 60.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 72.34 110.914 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 14.8 mtm -62.65 -40.14 96.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 63.54 110.888 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 64.0 m -62.08 -38.92 90.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 64.24 111.107 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.448 ' O ' HG12 ' A' ' 45' ' ' VAL . 19.0 tp -61.1 -45.73 93.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 62.4 110.955 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 52.6 t -55.06 -41.74 71.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 51.12 110.863 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 82.4 mt -74.38 -26.5 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 73.53 111.131 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.1 m -75.63 -56.24 4.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 53.41 110.833 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.768 HG23 HG21 ' A' ' 21' ' ' ILE . 7.8 p -59.7 -28.57 40.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 72.43 111.156 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.81 -29.94 50.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 72.24 110.881 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.3 tp -70.14 -51.48 31.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 73.23 110.923 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.47 -46.74 83.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 72.52 111.107 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.483 HD11 HG21 ' A' ' 77' ' ' THR . 6.4 tp -63.14 -31.11 72.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 61.22 110.893 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 20.6 m -71.71 -34.11 69.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 74.52 111.153 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.3 t -60.79 -61.38 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 74.33 111.134 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.608 ' O ' HD12 ' A' ' 56' ' ' ILE . 5.8 m-85 -62.28 -37.79 86.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 75.11 110.95 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.2 tt -54.23 -58.82 5.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 75.14 110.908 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 17.8 mt -52.39 -33.96 45.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 62.2 110.918 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.09 -58.7 5.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 55.1 110.971 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.608 HD12 ' O ' ' A' ' 52' ' ' PHE . 3.6 mp . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 61.55 111.138 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.4 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.929 0.395 . . . . 74.41 110.834 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 36.0 m -54.25 -33.89 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 61.22 111.13 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -70.69 -60.38 4.66 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.728 -0.749 . . . . 42.01 112.495 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -54.3 -43.69 71.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.86 0.362 . . . . 71.23 110.851 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -52.25 -51.67 57.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 74.51 110.885 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.93 -33.19 75.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 74.12 110.903 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -60.46 3.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 51.44 110.923 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -65.13 -27.42 68.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 73.41 110.87 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.483 HG21 HD11 ' A' ' 49' ' ' LEU . 2.2 m -61.7 -52.49 64.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 73.4 111.115 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 10.3 mmt -60.38 -43.55 96.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 73.12 110.866 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 3.9 t -52.37 -53.53 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 75.44 111.125 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.444 HD11 HG21 ' A' ' 120' ' ' VAL . 1.1 mp -68.4 -43.55 77.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 62.15 110.888 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.5 t -53.05 -41.38 41.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 74.55 111.142 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 26.9 m -63.17 -44.6 95.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 65.51 111.14 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -62.22 -40.7 96.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 71.34 110.893 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.89 -55.13 36.68 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.121 -0.49 . . . . 73.53 110.851 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 19.7 mm -53.57 -38.39 33.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 63.34 111.095 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 15.1 t -58.53 -43.72 87.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 74.0 111.13 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.6 m -74.4 -23.04 58.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 72.12 111.133 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.8 t -65.7 -53.44 40.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 72.11 110.85 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 5.3 p -69.92 -24.15 26.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 71.41 111.14 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.79 -55.45 6.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 73.55 110.841 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -66.54 -19.21 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 45.53 111.137 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 60.1 tp . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 75.42 110.931 179.954 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.502 -0.239 . . . . 70.51 112.502 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.21 -35.97 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.842 0.353 . . . . 72.3 111.168 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -62.35 -57.05 12.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 63.44 110.886 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -23.77 67.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 73.22 110.855 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.91 -54.56 12.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.483 . . . . 72.24 110.922 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -61.32 -25.78 67.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 73.14 110.872 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.626 ' O ' HG23 ' A' ' 118' ' ' VAL . 1.3 mm? -75.57 -50.98 13.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 63.21 110.923 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 20.0 t90 -53.83 -48.26 70.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 72.33 110.919 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 31.8 pt -68.48 -26.56 33.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 71.54 111.173 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.507 ' CZ ' HG23 ' A' ' 22' ' ' THR . 11.8 t80 -76.33 -34.38 58.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 75.15 110.862 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 114' ' ' LEU . 46.5 t -76.02 -29.94 20.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 74.33 111.113 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.06 -45.21 70.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 60.2 110.869 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.444 HG21 HD11 ' A' ' 80' ' ' LEU . 7.7 p -67.54 -31.81 54.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 55.34 111.102 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -80.49 -20.93 42.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 63.23 110.883 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 118' ' ' VAL . 3.4 t -83.07 -55.25 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 72.12 111.088 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -59.81 -48.92 79.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 63.13 110.869 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -60.05 -52.82 50.49 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.753 -0.737 . . . . 51.5 112.51 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 21.2 m -55.17 -54.65 40.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.737 0.303 . . . . 63.03 111.148 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.457 HG22 HD12 ' A' ' 130' ' ' LEU . 40.9 mt -57.36 -33.27 43.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 54.43 111.144 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -54.68 -57.51 17.42 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.721 -0.752 . . . . 52.25 112.49 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 16.6 ptp -76.61 -21.63 55.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.841 0.353 . . . . 61.13 110.89 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -77.42 -15.25 59.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 72.44 110.91 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.457 HD12 HG22 ' A' ' 126' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 72.14 110.94 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.517 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 3.8 tt0 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.625 0.726 . . . . 62.54 110.904 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.9 Cg_endo -69.78 -22.93 31.3 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.7 2.267 . . . . 74.44 112.32 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.506 HD13 ' O ' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -71.73 -38.89 70.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 71.51 110.897 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.12 -26.92 60.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 74.31 110.897 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -60.9 -60.97 2.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 71.24 110.923 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.727 ' O ' HD12 ' A' ' 15' ' ' ILE . 4.6 t -52.83 -39.78 62.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 70.51 111.17 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.3 mt -63.44 -41.37 92.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 62.24 111.159 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -69.6 -13.97 62.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 74.34 110.857 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -88.95 -24.95 22.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 74.32 110.88 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.727 HD12 ' O ' ' A' ' 11' ' ' THR . 1.4 mp -78.79 -32.13 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 62.14 111.139 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.535 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 2.6 mt -51.73 -57.52 14.36 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.62 0.724 . . . . 71.44 111.125 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.7 Cg_endo -69.78 -35.0 13.39 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.65 2.234 . . . . 72.43 112.353 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.7 t -53.2 -57.99 8.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 75.25 110.941 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.8 t -72.98 -43.14 59.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 74.14 111.123 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.2 tt -52.16 -56.41 14.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 51.43 110.91 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.41 HG12 HG13 ' A' ' 45' ' ' VAL . 8.3 mt -51.86 -50.77 31.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 72.41 111.119 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.534 HG23 ' CZ ' ' A' ' 117' ' ' PHE . 80.7 m -53.33 -55.26 26.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 75.12 111.175 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.1 -49.69 63.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 72.32 110.858 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.424 HD22 HD21 ' A' ' 41' ' ' LEU . 3.1 mt -54.84 -36.96 65.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 72.2 110.895 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.96 -25.94 60.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 63.15 111.117 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.428 ' HA ' HD11 ' A' ' 114' ' ' LEU . 94.1 mt -78.06 -53.92 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 75.4 111.113 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.2 mp -53.86 -47.46 70.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 63.44 110.915 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.629 HG21 ' HG ' ' A' ' 41' ' ' LEU . 14.7 t -57.9 -50.48 77.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 74.41 111.132 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.677 ' CD2' HD21 ' A' ' 114' ' ' LEU . 0.1 OUTLIER -57.18 -40.39 77.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 75.0 110.875 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -76.03 -10.52 59.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.157 -0.474 . . . . 74.22 110.936 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 mp -139.46 72.04 37.76 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.598 0.713 . . . . 75.41 110.945 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 130.24 19.06 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.73 2.286 . . . . 65.43 112.349 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.95 179.03 4.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 75.22 110.87 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -126.51 19.01 7.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 73.22 110.854 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.1 m -107.6 -12.9 15.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 63.13 110.882 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 111.92 11.1 17.19 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.742 -0.742 . . . . 63.11 112.485 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.22 -33.95 59.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.924 0.392 . . . . 45.11 110.871 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.6 mmmt -56.34 -56.31 22.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 75.42 110.894 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.2 ttt -56.56 -47.85 78.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 74.21 110.888 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 63.0 m -54.85 -28.28 48.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 73.54 111.111 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.629 ' HG ' HG21 ' A' ' 28' ' ' VAL . 0.3 OUTLIER -73.42 -40.88 63.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 44.35 110.944 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 36.8 t -60.3 -45.2 94.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 74.33 110.873 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 3.6 mt -72.84 -26.31 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 74.1 111.129 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.3 t -72.2 -55.23 7.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 51.24 110.835 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.41 HG13 HG12 ' A' ' 21' ' ' ILE . 5.9 t -56.98 -36.41 50.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 72.43 111.102 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.2 tt -69.97 -37.55 75.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 64.53 110.938 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.22 -53.05 56.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 73.5 110.92 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.07 -46.07 82.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 62.23 111.078 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.529 HD21 HG21 ' A' ' 77' ' ' THR . 0.3 OUTLIER -59.92 -28.22 67.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 72.12 110.9 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.5 m -69.66 -45.66 67.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 45.4 111.142 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 57.9 t -52.49 -57.84 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 74.55 111.139 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.66 ' O ' HD12 ' A' ' 56' ' ' ILE . 27.9 m-85 -63.11 -37.27 86.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 75.0 110.858 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.0 mt -51.85 -58.97 4.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 74.31 110.9 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.7 mt -55.92 -33.8 65.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 72.33 110.86 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 tt -51.71 -63.61 1.08 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.243 -0.435 . . . . 64.03 110.874 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.66 HD12 ' O ' ' A' ' 52' ' ' PHE . 1.8 mp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 71.53 111.1 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.4 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.902 0.382 . . . . 70.51 110.879 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.594 HG21 HG21 ' A' ' 56' ' ' ILE . 4.4 p -55.81 -32.91 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 73.5 111.072 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -76.53 -42.9 20.93 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.775 -0.726 . . . . 73.44 112.43 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -60.19 -38.83 84.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.85 0.357 . . . . 74.42 110.842 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -72.01 -43.04 65.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.172 -0.467 . . . . 75.14 110.906 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.49 -29.67 69.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 65.44 110.89 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.18 -55.75 22.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 52.43 110.859 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -70.88 -25.49 62.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 73.44 110.849 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.529 HG21 HD21 ' A' ' 49' ' ' LEU . 2.6 m -72.91 -48.48 36.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 75.31 111.143 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.83 -38.9 89.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 73.02 110.872 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 15.2 t -57.92 -57.27 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 75.02 111.121 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.47 -46.92 88.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 74.21 110.89 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.6 t -51.95 -47.38 41.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 72.12 111.107 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.5 m -56.33 -50.43 71.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 63.11 111.153 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.26 -33.99 77.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 72.34 110.927 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.39 -51.66 62.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 73.01 110.843 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 10.1 mm -52.65 -42.89 42.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.475 . . . . 75.32 111.128 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 25.3 t -55.5 -45.1 78.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 72.14 111.097 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.67 ' O ' HG23 ' A' ' 91' ' ' VAL . 0.2 OUTLIER -72.81 -25.65 61.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 75.42 111.117 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.45 -41.99 92.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 73.22 110.867 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 27.4 t -71.82 -40.91 69.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 72.41 111.074 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 7.9 t -57.98 -35.15 70.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 71.41 110.879 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 87' ' ' THR . 85.3 t -73.57 -42.52 55.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 74.42 111.107 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 64.45 110.877 -179.995 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.497 -0.241 . . . . 75.34 112.497 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.17 -35.99 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.857 0.36 . . . . 64.34 111.108 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -54.19 -59.88 4.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 72.34 110.893 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 1.7 mtm-85 -59.86 -24.65 64.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 71.1 110.877 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.12 -60.36 2.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 72.03 110.861 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -58.75 -29.57 66.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 74.11 110.864 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.677 HD21 ' CD2' ' A' ' 29' ' ' PHE . 1.9 mm? -69.24 -51.06 41.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 75.33 110.963 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 56.1 t-105 -52.93 -58.06 8.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 75.25 110.974 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 25.9 pt -58.14 -25.69 27.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 73.12 111.128 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.534 ' CZ ' HG23 ' A' ' 22' ' ' THR . 9.8 t80 -78.39 -32.26 48.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 72.12 110.86 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 114' ' ' LEU . 64.5 t -72.77 -30.58 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 64.31 111.146 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -72.34 -54.31 9.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.478 . . . . 71.31 110.891 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 4.5 p -55.16 -31.76 26.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 75.33 111.118 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -73.26 -34.21 65.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 74.24 110.866 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 118' ' ' VAL . 29.9 t -69.26 -46.94 76.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 65.12 111.088 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -74.74 -41.51 59.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 61.24 110.866 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -59.77 -51.1 61.03 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.792 -0.718 . . . . 73.43 112.47 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 94.7 m -61.96 -44.84 95.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.794 0.33 . . . . 54.51 111.168 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.425 HG22 HD12 ' A' ' 130' ' ' LEU . 52.7 mt -59.79 -32.61 50.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 62.24 111.154 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -64.06 -55.7 22.6 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.752 -0.737 . . . . 54.1 112.48 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 24.1 ptp -72.98 -20.51 61.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.77 0.319 . . . . 74.31 110.886 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -81.45 -19.27 42.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 70.21 110.894 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.425 HD12 HG22 ' A' ' 126' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.121 -0.49 . . . . 62.11 110.921 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.523 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 4.5 tt0 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.67 0.748 . . . . 75.11 110.908 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.9 Cg_endo -69.78 -38.93 7.08 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.695 2.263 . . . . 64.34 112.328 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.05 -15.51 62.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 75.12 110.935 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -63.25 -26.73 68.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 72.34 110.864 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -76.49 -59.31 2.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 62.33 110.944 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.8 t -51.85 -41.6 61.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.5 . . . . 62.02 111.169 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.4 mm -61.0 -44.51 98.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 62.32 111.13 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -66.64 -13.96 61.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 54.21 110.882 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.97 -23.72 22.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.481 . . . . 63.42 110.89 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.574 HG21 ' CD1' ' A' ' 129' ' ' PHE . 47.5 mm -78.5 -33.09 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 72.21 111.101 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.539 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 1.1 mt -51.87 -57.45 14.81 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.607 0.718 . . . . 73.11 111.135 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.539 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.6 Cg_endo -69.74 -33.21 17.12 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.706 2.271 . . . . 75.42 112.344 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.8 t -54.13 -58.45 7.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 51.52 110.896 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.7 ' CG1' HG21 ' A' ' 125' ' ' THR . 26.8 m -72.45 -34.79 49.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 72.02 111.122 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.444 ' O ' HD23 ' A' ' 24' ' ' LEU . 16.0 tp -58.32 -47.19 84.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 62.23 110.917 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.65 HG21 HG23 ' A' ' 45' ' ' VAL . 49.9 mt -73.76 -52.36 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 74.21 111.126 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.506 HG22 HD11 ' A' ' 26' ' ' ILE . 39.4 m -52.74 -56.11 17.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 74.2 111.165 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.3 t -52.18 -40.77 61.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 64.2 110.895 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.444 HD23 ' O ' ' A' ' 20' ' ' LEU . 0.9 OUTLIER -60.31 -38.08 82.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 63.21 110.892 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.01 -30.64 61.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 60.13 111.13 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.506 HD11 HG22 ' A' ' 22' ' ' THR . 42.2 mt -76.67 -40.69 33.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 62.41 111.108 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -69.42 -24.66 63.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 64.44 110.917 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.5 t -76.55 -44.88 34.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 61.01 111.136 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.41 -40.55 94.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 73.33 110.877 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -81.27 -50.07 9.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.174 -0.466 . . . . 71.14 110.939 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.71 70.44 9.48 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.643 0.735 . . . . 45.41 110.904 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 137.88 36.48 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.646 2.23 . . . . 75.12 112.35 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.6 t -106.74 -13.24 15.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 43.53 110.878 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -145.01 -170.14 3.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 75.2 110.908 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -108.74 -23.64 11.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 72.12 110.875 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -107.73 17.43 35.98 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.741 . . . . 61.25 112.496 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.07 -21.08 59.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.938 0.399 . . . . 73.1 110.903 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -69.51 -59.06 3.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 74.32 110.926 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.2 -41.79 76.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 70.22 110.889 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.3 m -58.58 -34.61 71.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 71.04 111.088 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.4 HD21 ' HB3' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -68.1 -48.54 65.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 70.13 110.919 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.526 ' O ' HD12 ' A' ' 46' ' ' LEU . 0.5 OUTLIER -55.68 -34.36 64.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 53.14 110.888 179.908 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 14.6 mt -78.14 -34.83 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 75.05 111.132 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.0 t -70.97 -45.74 63.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 71.3 110.845 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.65 HG23 HG21 ' A' ' 21' ' ' ILE . 11.2 p -65.53 -30.79 51.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 44.45 111.173 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.526 HD12 ' O ' ' A' ' 42' ' ' CYS . 2.8 mt -73.18 -33.43 65.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 72.43 110.937 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.5 tt -68.89 -56.11 8.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 63.21 110.874 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.71 -49.38 76.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 34.3 111.125 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.466 HD22 HG21 ' A' ' 81' ' ' VAL . 32.2 tp -60.32 -37.22 79.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 54.32 110.925 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.7 m -61.58 -39.63 91.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 74.4 111.145 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 50.5 t -57.94 -60.54 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 72.31 111.123 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.547 ' O ' HD12 ' A' ' 56' ' ' ILE . 1.3 m-85 -61.48 -45.34 94.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 72.15 110.881 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.43 -41.85 73.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 70.14 110.873 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.1 tt -61.05 -35.87 78.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 54.24 110.929 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.92 -61.92 2.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 71.22 110.894 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.547 HD12 ' O ' ' A' ' 52' ' ' PHE . 3.5 mp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 63.44 111.089 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.963 0.411 . . . . 42.4 110.865 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.405 HG21 HG23 ' A' ' 56' ' ' ILE . 33.9 m -75.69 -27.79 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 41.51 111.15 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -63.06 -29.13 73.42 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.692 -0.766 . . . . 70.4 112.476 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.59 -62.43 1.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.901 0.381 . . . . 75.01 110.931 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -67.11 -25.48 66.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 73.34 110.915 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.7 tp -69.23 -45.0 70.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.475 . . . . 63.23 110.968 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 45.0 ttp -57.63 -51.51 69.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 75.33 110.876 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -63.1 -25.31 68.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 71.32 110.907 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.7 m -76.9 -50.92 12.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 74.44 111.127 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.5 ttm -58.46 -37.47 75.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 74.34 110.888 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 4.3 t -61.52 -62.08 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 60.51 111.139 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.86 -49.48 76.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 54.31 110.945 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.466 HG21 HD22 ' A' ' 49' ' ' LEU . 4.9 t -55.88 -45.56 79.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 64.44 111.085 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.58 ' O ' HG23 ' A' ' 86' ' ' VAL . 2.9 m -56.89 -37.6 71.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 73.24 111.138 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -65.51 -44.28 87.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 72.34 110.915 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.96 -48.86 69.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.5 . . . . 44.41 110.891 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 8.8 mm -57.39 -40.69 75.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 72.22 111.171 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 82' ' ' THR . 17.5 t -56.2 -42.24 72.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.492 . . . . 75.44 111.131 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -38.23 81.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 72.21 111.169 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.7 t -56.34 -57.37 12.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 74.21 110.895 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 83.2 t -63.18 -26.58 41.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 74.41 111.12 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.26 -30.78 70.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 64.15 110.916 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 91.2 t -82.66 -32.45 10.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 70.52 111.109 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.1 tp . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 73.44 110.911 179.963 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.511 -0.236 . . . . 20.45 112.511 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.24 -35.99 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.827 0.346 . . . . 74.3 111.115 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -52.99 -44.25 67.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 74.51 110.856 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -51.5 69.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 74.22 110.878 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.1 mp -53.5 -34.08 56.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 63.11 110.886 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -72.11 -29.9 64.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 62.44 110.89 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.713 ' O ' HG23 ' A' ' 118' ' ' VAL . 0.1 OUTLIER -71.95 -46.65 56.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.499 . . . . 74.3 110.908 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -53.17 -55.78 21.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 74.03 110.885 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 23.2 pt -60.84 -29.98 46.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 72.33 111.142 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -75.74 -26.65 57.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 65.42 110.859 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 114' ' ' LEU . 94.7 t -81.07 -37.72 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 75.44 111.072 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -67.36 -31.58 71.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 72.04 110.889 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 10.4 p -81.62 -34.07 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 64.55 111.107 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.3 -20.68 40.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 73.12 110.86 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.9 t -83.93 -55.71 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 73.51 111.12 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -57.02 -42.2 79.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 65.32 110.861 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -70.07 -58.44 6.16 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 64.22 112.486 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.7 HG21 ' CG1' ' A' ' 19' ' ' VAL . 99.7 m -57.28 -60.25 3.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.743 0.306 . . . . 71.33 111.1 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 40.2 mm -54.53 -26.82 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 73.14 111.132 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -58.12 -60.15 9.49 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.741 . . . . 52.34 112.504 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 10.0 ptt? -81.69 -23.46 36.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.778 0.323 . . . . 71.25 110.892 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.574 ' CD1' HG21 ' A' ' 15' ' ' ILE . 64.2 t80 -72.12 -14.0 61.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 73.43 110.874 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 64.54 110.887 -179.94 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.526 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 3.7 tt0 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.597 0.713 . . . . 73.11 110.924 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.2 Cg_endo -69.74 -26.92 27.18 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.66 2.24 . . . . 63.42 112.346 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.01 -21.9 43.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 64.4 110.946 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -77.26 -30.28 54.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 53.45 110.857 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -65.04 -58.71 5.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 73.23 110.941 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.0 t -52.72 -39.51 62.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 44.14 111.164 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.7 mm -62.19 -43.3 97.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 72.02 111.092 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -68.19 -13.35 62.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 75.11 110.865 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -88.96 -25.2 22.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 72.51 110.908 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.441 ' O ' HG23 ' A' ' 19' ' ' VAL . 47.8 mm -78.97 -31.35 14.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 70.0 111.149 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.545 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 1.6 mt -52.37 -57.49 15.26 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.617 0.722 . . . . 74.33 111.121 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.545 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.8 Cg_endo -69.71 -35.31 13.03 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.677 2.251 . . . . 75.42 112.395 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 39.9 t -55.68 -57.41 12.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 74.13 110.878 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.491 HG22 HG21 ' A' ' 125' ' ' THR . 17.6 t -65.25 -31.66 54.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 61.03 111.116 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.91 -35.34 78.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 74.24 110.919 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.666 HG21 HG23 ' A' ' 45' ' ' VAL . 11.4 mt -64.65 -42.21 94.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 74.24 111.147 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.2 m -59.16 -47.18 86.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 64.15 111.178 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.67 -45.43 66.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 72.32 110.882 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -52.06 -53.33 43.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 74.5 110.903 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.38 -43.94 84.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 72.21 111.111 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.621 HD11 HG22 ' A' ' 118' ' ' VAL . 60.9 mt -60.91 -43.5 95.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 73.44 111.124 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.1 -28.81 69.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 72.31 110.912 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 20.3 t -73.85 -40.03 52.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 75.44 111.15 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -70.47 -37.21 74.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 74.22 110.899 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.4 ' HB3' HD12 ' A' ' 31' ' ' LEU . 5.8 m-85 -80.42 -24.37 39.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 72.43 110.883 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.4 HD12 ' HB3' ' A' ' 30' ' ' TYR . 4.9 mp -142.04 71.91 23.16 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.61 0.719 . . . . 53.42 110.944 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 161.29 46.5 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.723 2.282 . . . . 72.51 112.338 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -120.3 -171.89 2.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 62.54 110.882 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -101.49 -18.79 15.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 74.13 110.873 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.56 -18.41 59.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 64.03 110.885 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 92.84 56.9 1.46 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.7 -0.762 . . . . 74.54 112.514 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -63.1 -19.53 64.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.897 0.379 . . . . 55.32 110.857 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.49 -47.51 83.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 72.13 110.89 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.72 -35.12 62.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 62.14 110.875 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.66 -31.52 72.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.425 . . . . 43.15 111.166 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.725 ' O ' HG12 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -73.03 -46.94 49.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 74.3 110.925 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.8 t -56.24 -38.83 71.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 65.24 110.912 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 18.2 mt -72.12 -33.32 46.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 60.1 111.11 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.9 t -73.29 -60.17 2.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.458 . . . . 73.12 110.839 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.725 HG12 ' O ' ' A' ' 41' ' ' LEU . 3.8 p -52.29 -30.44 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 75.31 111.129 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.6 tt -70.76 -46.69 62.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 74.15 110.902 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.567 ' O ' HG23 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -57.3 -36.92 71.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 75.02 110.9 179.902 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.6 -47.61 84.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 74.23 111.051 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.1 tp -54.23 -46.86 72.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 72.53 110.897 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.53 -35.35 80.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 63.42 111.13 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 47' ' ' LEU . 43.3 t -62.39 -39.67 85.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.43 . . . . 73.21 111.127 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -66.29 -42.74 87.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 72.44 110.885 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.97 -50.63 66.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 75.52 110.925 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.11 -28.63 68.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 75.23 110.941 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.74 -56.07 23.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 61.31 110.888 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.569 HG21 HG11 ' A' ' 70' ' ' VAL . 2.2 mp . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 71.21 111.136 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.887 0.375 . . . . 75.2 110.84 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.569 HG11 HG21 ' A' ' 56' ' ' ILE . 5.4 p -61.71 -19.34 20.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 73.45 111.139 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -57.98 -34.74 73.22 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 74.41 112.46 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -63.76 -65.88 0.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 44.13 110.855 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -57.03 -43.94 82.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 73.32 110.898 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 19.8 tp -56.0 -41.9 75.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 54.42 110.932 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 29.1 ttp -54.23 -48.71 70.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 73.34 110.853 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -72.96 -32.06 64.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 74.32 110.878 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.3 m -62.04 -56.05 22.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 62.0 111.125 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.2 mmt -55.32 -41.71 72.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 70.51 110.913 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 3.6 t -54.29 -61.53 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 74.12 111.102 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.48 -42.52 92.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 62.51 110.9 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.8 t -56.48 -44.1 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 71.41 111.135 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 m -58.12 -43.35 87.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 54.42 111.131 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -65.32 -28.53 69.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 74.44 110.896 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.1 m -73.03 -49.28 29.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 75.31 110.802 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.472 ' O ' HG23 ' A' ' 89' ' ' VAL . 40.8 mm -63.93 -36.69 77.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 74.13 111.101 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 3.6 t -57.9 -54.55 30.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 71.34 111.155 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 91.0 m -66.41 -39.33 88.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 71.03 111.141 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.2 m -58.35 -44.23 88.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 73.44 110.83 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 85' ' ' ILE . 78.3 t -70.23 -29.92 41.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 52.53 111.127 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.58 -30.06 56.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 74.22 110.903 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 52.6 t -80.32 -36.79 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 65.13 111.126 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 34.4 110.94 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.457 -0.257 . . . . 73.55 112.457 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.18 -36.01 16.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.86 0.362 . . . . 72.32 111.162 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -71.52 -58.01 3.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 74.53 110.864 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -52.27 -34.32 45.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 75.24 110.914 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.7 tp -60.63 -59.38 5.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 71.41 110.901 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.01 -24.56 67.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 65.41 110.897 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.404 ' O ' HG23 ' A' ' 118' ' ' VAL . 0.3 OUTLIER -67.92 -44.93 75.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 54.41 110.929 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -79.59 -42.13 25.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 64.25 110.961 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 1.1 tt -56.31 -24.67 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 65.55 111.142 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -81.08 -59.2 2.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 72.1 110.885 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.621 HG22 HD11 ' A' ' 26' ' ' ILE . 37.3 t -52.79 -28.74 13.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 75.4 111.147 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -70.32 -57.08 5.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 74.03 110.875 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 11.1 p -64.45 -25.63 38.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.109 -0.496 . . . . 71.43 111.104 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 62.8 m -79.07 -57.37 3.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 75.23 110.89 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.7 p -59.61 -23.36 25.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 74.05 111.165 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -74.6 -48.5 26.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 74.2 110.886 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -70.97 -40.05 63.14 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.73 . . . . 64.03 112.496 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.491 HG21 HG22 ' A' ' 19' ' ' VAL . 31.7 p -65.67 -60.0 3.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.817 0.341 . . . . 74.41 111.141 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 26.7 mm -57.98 -24.79 24.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 64.42 111.16 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -61.84 -58.04 14.73 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.702 -0.761 . . . . 64.21 112.506 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 8.3 ptp -81.75 -25.11 35.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.791 0.329 . . . . 54.44 110.824 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -71.35 -51.32 24.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 64.15 110.926 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 72.54 110.902 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.527 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 5.3 tt0 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.647 0.737 . . . . 74.31 110.888 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.6 Cg_endo -69.79 -34.36 14.64 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.706 2.271 . . . . 64.32 112.34 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.78 -20.71 66.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 72.33 110.888 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -83.0 -32.71 26.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 75.4 110.882 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.19 -50.44 63.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 63.21 110.932 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.8 t -51.89 -41.66 62.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 72.43 111.181 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 80.6 mt -61.76 -41.44 90.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 64.21 111.098 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -70.38 -11.15 60.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 71.51 110.83 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.89 -27.77 20.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 72.32 110.939 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.5 mm -79.29 -30.48 14.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 71.23 111.142 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.533 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 1.4 mm -51.81 -57.45 14.73 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.609 0.718 . . . . 71.41 111.138 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 54.0 Cg_endo -69.78 -38.23 8.03 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.688 2.258 . . . . 74.05 112.368 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -52.02 -56.84 11.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 72.14 110.915 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.686 HG22 HG21 ' A' ' 125' ' ' THR . 61.4 t -65.97 -46.31 88.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 63.51 111.113 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -52.44 -43.64 65.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 64.41 110.909 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.533 HD11 ' HB1' ' A' ' 48' ' ' ALA . 9.6 mt -56.77 -48.39 81.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 73.21 111.173 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.679 HG21 ' HB2' ' A' ' 121' ' ' CYS . 0.6 OUTLIER -67.97 -55.5 12.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.193 -0.458 . . . . 61.14 111.153 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.72 -37.19 58.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 70.35 110.907 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.8 mt -64.33 -39.38 93.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.092 -0.504 . . . . 64.14 110.958 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.7 -32.38 60.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 62.14 111.139 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.603 HD13 HG22 ' A' ' 118' ' ' VAL . 55.1 mt -74.15 -48.94 35.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 75.33 111.107 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.4 mp -53.94 -51.74 62.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.183 -0.462 . . . . 65.24 110.907 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.442 HG21 HD23 ' A' ' 41' ' ' LEU . 5.2 t -53.06 -51.51 37.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 65.41 111.152 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.525 ' CG ' HD11 ' A' ' 114' ' ' LEU . 1.6 m-85 -62.97 -20.68 65.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 74.13 110.906 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -85.93 -32.97 21.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 72.12 110.92 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.0 mp -128.41 68.81 78.01 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.579 0.704 . . . . 55.34 110.921 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 120.86 7.58 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.666 2.244 . . . . 72.22 112.386 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.19 175.11 5.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 72.43 110.862 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -100.09 19.07 17.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.11 -0.496 . . . . 65.24 110.896 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.1 t -100.48 -9.8 21.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 63.35 110.879 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 92.41 44.29 4.06 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.701 -0.761 . . . . 71.42 112.493 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -68.25 -21.52 64.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.898 0.38 . . . . 60.13 110.865 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.79 -45.76 91.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 54.11 110.887 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 7.5 ttt -73.67 -43.06 60.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 72.34 110.862 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 74.5 m -56.3 -41.44 75.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.256 -0.429 . . . . 73.0 111.18 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.503 ' O ' HD13 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -65.44 -39.65 92.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 61.54 110.955 179.93 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 42.6 t -53.04 -46.04 68.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 65.32 110.862 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 12.9 mm -69.11 -33.2 57.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 74.33 111.105 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.49 -56.37 16.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 73.34 110.885 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.2 t -53.3 -40.37 39.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 60.03 111.107 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.0 tt -58.44 -41.6 85.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 72.53 110.883 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.5 -43.02 79.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 75.2 110.911 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.533 ' HB1' HD11 ' A' ' 21' ' ' ILE . . . -55.88 -45.16 78.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 64.23 111.127 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -54.24 -43.31 70.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 64.33 110.876 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.11 -42.44 94.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 73.44 111.148 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 71.4 t -56.14 -46.29 81.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 74.41 111.108 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.641 ' O ' HD12 ' A' ' 56' ' ' ILE . 15.6 m-85 -54.98 -39.87 69.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 74.24 110.921 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.98 -55.67 28.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 54.45 110.952 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 18.0 mt -57.74 -34.49 69.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 74.43 110.948 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.01 -62.5 1.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 74.24 110.89 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.641 HD12 ' O ' ' A' ' 52' ' ' PHE . 4.0 mp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 72.0 111.155 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.926 0.393 . . . . 75.22 110.873 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.3 p -58.3 -25.28 26.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 71.03 111.117 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -79.51 -35.61 28.71 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.743 -0.741 . . . . 64.34 112.459 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.76 -60.39 3.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.84 0.353 . . . . 71.34 110.884 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -61.53 -48.85 79.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 73.44 110.942 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.7 tp -52.39 -35.93 52.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 50.03 110.925 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -60.08 4.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 73.11 110.885 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.17 -23.82 65.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 74.0 110.855 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.452 ' O ' HG23 ' A' ' 81' ' ' VAL . 58.2 m -71.54 -53.89 12.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 72.45 111.16 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.1 mmt -61.48 -32.8 72.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 73.43 110.877 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 5.1 t -62.7 -57.54 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 61.42 111.136 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -65.21 -33.21 75.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 54.11 110.929 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 77' ' ' THR . 6.6 t -61.96 -39.06 82.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 71.31 111.137 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 55.3 m -66.42 -44.61 82.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.469 . . . . 70.22 111.117 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -24.03 67.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 64.34 110.891 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.05 -43.22 54.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 71.52 110.835 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 22.2 mm -58.57 -37.01 62.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 61.21 111.157 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 49.0 t -65.32 -46.73 89.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 73.35 111.101 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -69.88 -31.27 69.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 61.15 111.112 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.37 -61.47 2.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 54.3 110.883 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 11.7 p -64.51 -30.44 50.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.51 . . . . 62.24 111.156 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.17 -45.67 65.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 73.43 110.882 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.5 t -76.93 -28.28 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 62.44 111.166 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 63.43 110.928 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.487 -0.245 . . . . 63.21 112.487 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.15 -36.08 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.82 0.343 . . . . 62.11 111.121 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -74.32 -41.14 61.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 74.11 110.873 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 1.5 mtt85 -65.2 -36.1 83.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 75.44 110.922 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.07 -44.39 96.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 75.04 110.957 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.568 ' CD1' HD11 ' A' ' 116' ' ' ILE . 55.1 t80 -67.94 -24.74 65.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 71.52 110.887 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.525 HD11 ' CG ' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -74.54 -44.39 51.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 64.13 110.926 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 23.0 t90 -56.12 -44.11 78.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.464 . . . . 63.33 110.929 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.568 HD11 ' CD1' ' A' ' 113' ' ' PHE . 38.6 pt -72.66 -24.89 21.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 73.4 111.094 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.468 ' CD1' HG23 ' A' ' 22' ' ' THR . 0.1 OUTLIER -68.28 -38.16 81.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 75.54 110.902 179.916 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.603 HG22 HD13 ' A' ' 26' ' ' ILE . 67.9 t -71.28 -41.73 74.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 64.52 111.115 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -57.39 -56.0 27.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 64.31 110.82 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 11.4 p -58.71 -32.2 46.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 72.1 111.116 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 0.679 ' HB2' HG21 ' A' ' 22' ' ' THR . 0.5 OUTLIER -71.35 -46.2 61.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 75.45 110.885 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 37.5 t -66.39 -62.31 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 60.21 111.11 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -57.52 -28.94 63.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 65.25 110.872 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -70.29 -57.0 7.12 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.777 -0.725 . . . . 75.24 112.512 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.686 HG21 HG22 ' A' ' 19' ' ' VAL . 41.5 p -54.87 -48.41 72.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.781 0.324 . . . . 75.1 111.118 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 94.1 mt -66.12 -28.57 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 71.42 111.167 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -72.03 -46.09 38.0 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 41.23 112.531 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 23.4 ptp -75.54 -24.01 56.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.799 0.333 . . . . 74.12 110.87 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -83.8 -34.41 24.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 65.23 110.922 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.494 . . . . 74.5 110.949 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.521 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 1.9 tt0 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 121.619 0.723 . . . . 71.34 110.9 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.4 Cg_endo -69.79 -20.53 34.59 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.726 2.284 . . . . 74.42 112.339 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.28 -17.46 62.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 74.11 110.933 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.472 ' HA ' HD12 ' A' ' 12' ' ' ILE . 1.1 m-85 -78.56 -25.5 45.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 62.24 110.936 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -66.7 -57.18 7.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 75.33 110.924 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.729 ' O ' HD12 ' A' ' 15' ' ' ILE . 4.1 t -53.13 -39.65 63.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.498 . . . . 74.14 111.104 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.472 HD12 ' HA ' ' A' ' 9' ' ' PHE . 61.6 mt -60.05 -45.68 95.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 62.22 111.144 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -67.16 -14.79 63.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 74.1 110.888 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.28 -23.54 23.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 63.11 110.966 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.729 HD12 ' O ' ' A' ' 11' ' ' THR . 1.3 mp -79.21 -32.26 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 75.21 111.113 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.543 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 2.3 mt -51.98 -57.46 14.91 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.613 0.721 . . . . 52.4 111.143 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.543 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.9 Cg_endo -69.76 -34.68 14.1 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.698 2.265 . . . . 52.12 112.336 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -53.84 -56.86 13.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 73.21 110.869 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.6 t -62.47 -42.01 94.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 63.43 111.153 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.83 -45.7 85.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 62.51 110.921 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 5.1 mt -52.7 -50.63 40.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 71.3 111.11 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.1 m -55.28 -45.47 76.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 75.02 111.109 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.2 p -54.59 -41.84 70.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 71.0 110.846 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.5 mt -53.43 -56.47 16.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 65.11 110.874 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.05 -41.21 67.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 70.41 111.13 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 51.1 mt -65.58 -36.06 76.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 61.24 111.138 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -44.45 92.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 74.11 110.906 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 31.2 t -60.23 -36.98 71.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 73.44 111.128 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.414 ' CD2' HD11 ' A' ' 114' ' ' LEU . 4.5 m-85 -74.9 -18.13 60.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 74.41 110.888 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -96.04 -21.34 18.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 63.51 110.901 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.6 mp -130.13 72.98 81.75 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.552 0.692 . . . . 75.12 110.871 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 142.34 47.7 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.684 2.256 . . . . 75.43 112.328 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.43 162.69 37.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 65.22 110.886 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.6 p30 -98.48 45.32 1.01 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 72.44 110.879 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.23 0.62 21.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 74.11 110.868 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.4 24.64 58.6 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.732 -0.747 . . . . 75.2 112.486 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.99 -35.34 78.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.855 0.36 . . . . 74.33 110.878 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.21 -51.06 65.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 61.0 110.916 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.8 mtt -67.12 -42.39 84.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 73.12 110.881 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 55.1 m -59.4 -38.75 81.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 65.44 111.155 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.38 -47.91 84.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 75.14 110.947 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.6 t -58.67 -32.73 69.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 74.11 110.871 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 51.3 mt -75.37 -30.91 23.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 74.32 111.113 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.53 -55.2 7.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 62.11 110.889 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.2 p -61.48 -25.35 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 72.3 111.128 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.5 HD23 ' N ' ' A' ' 47' ' ' LEU . 2.3 tt -75.02 -53.78 8.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 75.11 110.92 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.5 ' N ' HD23 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -52.1 -51.39 58.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 74.24 110.927 179.9 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.13 -42.45 69.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 64.02 111.096 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.63 -47.84 75.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 74.14 110.929 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.7 m -69.52 -29.91 67.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 75.22 111.133 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 23.6 t -68.63 -32.96 57.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 73.13 111.098 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.666 ' O ' HD12 ' A' ' 56' ' ' ILE . 10.0 m-85 -69.62 -49.38 54.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 75.33 110.917 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.59 -59.25 4.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 63.44 110.923 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.7 tp -52.56 -37.74 58.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 70.03 110.921 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.88 -65.99 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 73.52 110.921 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.666 HD12 ' O ' ' A' ' 52' ' ' PHE . 1.9 mp . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 64.31 111.104 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.926 0.393 . . . . 72.3 110.848 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.9 p -54.05 -30.96 20.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 62.53 111.164 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -79.65 -42.72 11.02 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.768 -0.729 . . . . 61.41 112.459 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -55.24 -55.96 25.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.842 0.353 . . . . 71.22 110.88 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -64.25 -32.44 74.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 71.43 110.882 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 38.5 tp -65.94 -45.85 80.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 75.33 110.932 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.89 -45.64 71.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 74.32 110.93 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -65.97 -33.24 75.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 73.51 110.879 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 51.7 m -74.0 -29.43 61.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 70.44 111.166 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 5.5 mmt -65.77 -55.01 19.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 71.42 110.858 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 22.3 m -62.17 -27.48 42.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 74.35 111.137 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.21 -57.53 3.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 41.31 110.894 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -61.41 -21.0 24.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 74.22 111.126 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.0 m -69.59 -51.82 31.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 72.35 111.115 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -59.06 -37.01 76.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 62.41 110.866 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.8 t -60.48 -45.96 91.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 71.21 110.868 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.7 mm -57.34 -48.45 82.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 63.43 111.15 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 53.9 t -56.31 -39.81 62.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 73.35 111.123 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.473 ' O ' HG23 ' A' ' 91' ' ' VAL . 0.9 OUTLIER -70.63 -27.52 64.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 53.32 111.113 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.4 m -66.08 -43.74 86.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 71.54 110.851 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 93.8 t -78.45 -40.11 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 74.12 111.122 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 34.9 t -54.86 -40.45 69.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 41.03 110.882 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 87' ' ' THR . 74.3 t -71.19 -43.35 75.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 61.54 111.129 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.7 mm? . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 72.1 110.936 179.965 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.485 -0.246 . . . . 72.3 112.485 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.2 -35.99 16.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.853 0.359 . . . . 75.03 111.139 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -61.84 -55.06 33.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 60.41 110.907 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.49 -30.67 61.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 62.41 110.838 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.1 mt -65.8 -46.12 79.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 73.24 110.85 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.0 -24.59 66.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 71.24 110.884 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.414 HD11 ' CD2' ' A' ' 29' ' ' PHE . 1.3 mp -68.23 -43.64 77.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 74.21 110.909 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 7.1 t-105 -80.13 -42.23 23.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 63.45 110.954 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 1.1 tt -56.3 -24.81 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 74.0 111.147 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.09 -59.12 2.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 75.14 110.914 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 65.5 t -53.27 -28.28 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 64.24 111.116 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -70.34 -59.43 2.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 72.14 110.878 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 11.3 p -62.75 -23.06 31.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 74.11 111.14 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -79.55 -51.72 8.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 73.42 110.866 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 25.4 t -61.27 -43.24 96.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 72.55 111.173 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -60.44 -61.86 2.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 64.43 110.873 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -55.44 -46.74 79.57 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 43.2 112.469 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 39.7 m -58.62 -60.85 3.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.764 0.316 . . . . 71.32 111.129 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 23.2 mt -52.74 -33.22 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 72.23 111.108 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -57.41 -60.56 8.79 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.716 -0.754 . . . . 34.24 112.532 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 23.3 ptp -73.71 -23.23 59.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.78 0.324 . . . . 34.23 110.855 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -73.02 -14.33 61.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 73.32 110.905 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 61.54 110.948 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.534 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 3.1 tt0 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.619 0.723 . . . . 71.22 110.858 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.3 Cg_endo -69.77 -35.79 11.97 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.707 2.272 . . . . 72.51 112.317 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.37 -16.3 63.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 74.33 110.955 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -58.24 -23.1 54.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 64.24 110.879 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -73.15 -60.82 2.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 71.2 110.935 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.737 ' O ' HD12 ' A' ' 15' ' ' ILE . 5.3 t -59.89 -38.34 81.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.074 -0.512 . . . . 71.21 111.13 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.6 mm -64.57 -45.77 94.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 65.21 111.149 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -67.89 -13.08 61.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 74.41 110.872 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.95 -24.85 22.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 73.23 110.938 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.737 HD12 ' O ' ' A' ' 11' ' ' THR . 1.4 mp -78.95 -32.14 15.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 73.24 111.109 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.547 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 2.2 mt -51.95 -57.5 14.71 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.608 0.718 . . . . 74.32 111.098 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.547 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.8 Cg_endo -69.71 -36.2 11.38 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.671 2.247 . . . . 71.44 112.369 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -52.58 -54.71 29.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 64.33 110.88 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 15' ' ' ILE . 26.9 m -76.78 -35.04 23.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 64.42 111.095 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.41 ' HB3' ' HA ' ' A' ' 17' ' ' PRO . 49.9 tp -58.44 -44.5 89.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 73.21 110.93 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.707 ' CG2' HG22 ' A' ' 45' ' ' VAL . 13.2 mt -67.02 -42.55 88.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 74.52 111.14 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.617 HG22 HD11 ' A' ' 26' ' ' ILE . 25.5 m -52.35 -54.82 26.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 64.15 111.099 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.1 p -52.71 -42.87 65.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 52.04 110.867 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -61.48 -35.94 79.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 61.14 110.93 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.14 -29.9 54.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 74.01 111.104 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.617 HD11 HG22 ' A' ' 22' ' ' THR . 45.8 mt -76.73 -43.63 33.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 74.13 111.102 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 86.8 mt -65.12 -32.08 73.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 55.45 110.956 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.677 HG21 HD23 ' A' ' 41' ' ' LEU . 5.4 t -68.89 -50.16 56.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 65.21 111.088 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.542 ' HB3' HD11 ' A' ' 114' ' ' LEU . 6.3 m-85 -65.22 -20.64 66.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 73.51 110.87 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -77.68 -45.01 26.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.131 -0.486 . . . . 71.33 110.948 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 mp -89.95 160.71 40.15 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.608 0.718 . . . . 62.21 110.919 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 150.55 68.25 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.695 2.263 . . . . 42.2 112.352 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.2 t -79.51 152.44 30.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 61.14 110.884 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.54 -74.29 0.61 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.153 -0.476 . . . . 75.22 110.903 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.7 t -109.11 -11.61 14.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.224 -0.444 . . . . 71.51 110.873 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 134.41 38.4 0.2 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 64.41 112.514 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.79 -28.07 46.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.934 0.397 . . . . 64.03 110.922 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -65.62 -40.87 93.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 63.35 110.907 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.92 -42.32 70.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 71.41 110.917 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 69.9 p -60.57 -29.87 69.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 72.04 111.104 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.677 HD23 HG21 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -72.22 -41.37 66.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 74.43 110.896 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.9 t -53.84 -48.61 69.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 73.22 110.874 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 44.6 pt -71.66 -25.61 24.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 74.23 111.105 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.9 m -71.99 -54.55 9.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 64.34 110.878 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.707 HG22 ' CG2' ' A' ' 21' ' ' ILE . 27.5 t -51.67 -44.83 36.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 54.52 111.133 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 35.7 tp -67.52 -29.15 68.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.122 -0.49 . . . . 75.35 110.935 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.4 tp -55.66 -60.9 2.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 71.34 110.931 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.53 -43.52 72.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 60.4 111.045 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.635 HD21 ' CG2' ' A' ' 77' ' ' THR . 0.1 OUTLIER -54.51 -28.83 47.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 74.14 110.941 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.3 m -82.22 -34.34 28.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 74.32 111.16 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 91.5 t -51.84 -58.92 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 73.24 111.127 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.611 ' O ' HD12 ' A' ' 56' ' ' ILE . 34.1 m-85 -68.72 -41.79 78.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 70.32 110.886 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 41.4 tp -51.74 -37.33 50.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 62.23 110.895 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.1 tp -81.92 -32.74 30.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 73.11 110.959 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.454 ' O ' HD22 ' A' ' 55' ' ' LEU . 1.9 tm? -51.72 -52.33 49.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 54.54 110.95 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.611 HD12 ' O ' ' A' ' 52' ' ' PHE . 4.5 mp . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 71.13 111.123 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.951 0.405 . . . . 63.43 110.882 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.2 p -56.12 -25.52 19.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.499 . . . . 71.4 111.128 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -76.34 -38.41 33.84 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.718 -0.753 . . . . 72.41 112.526 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -54.51 -55.57 27.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.847 0.356 . . . . 73.43 110.888 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -59.44 -47.79 84.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.487 . . . . 74.23 110.953 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.26 -31.29 63.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.09 -0.505 . . . . 63.14 110.913 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 1.8 tpp -63.36 -45.93 88.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 72.11 110.879 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -77.76 -36.95 50.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 72.33 110.831 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.635 ' CG2' HD21 ' A' ' 49' ' ' LEU . 59.9 m -64.74 -37.66 88.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 75.24 111.102 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.0 mmt -66.63 -49.88 64.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.273 -0.422 . . . . 73.14 110.891 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 17.6 t -53.48 -41.31 44.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 62.55 111.123 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.5 tp -74.61 -49.22 22.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 70.21 110.938 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 77' ' ' THR . 15.5 t -52.6 -49.03 46.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 72.1 111.158 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.2 m -54.65 -57.04 13.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 61.35 111.136 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.19 -26.03 62.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 74.41 110.88 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.4 t -71.76 -34.34 69.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 72.45 110.842 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 32.2 mm -69.73 -41.21 79.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.476 . . . . 75.23 111.12 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 74.8 t -63.95 -44.48 97.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 65.22 111.137 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.504 HG21 ' CE1' ' A' ' 113' ' ' PHE . 29.0 p -72.05 -29.6 64.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 75.04 111.151 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.41 -55.68 31.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 63.14 110.861 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 32.1 m -74.34 -22.76 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 64.32 111.105 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 35.2 t -60.82 -42.79 98.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 73.45 110.842 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.7 t -76.97 -43.76 32.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 42.12 111.135 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.1 tp . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 63.11 110.907 179.974 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.518 -0.233 . . . . 75.53 112.518 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.435 HG23 ' N ' ' A' ' 110' ' ' ASP . 3.5 tp -50.88 -48.22 28.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.82 0.343 . . . . 53.53 111.104 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.436 ' O ' HD13 ' A' ' 114' ' ' LEU . 30.7 t70 -70.5 -21.0 62.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 51.32 110.886 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 5.1 mmt180 -75.31 -44.73 43.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 71.03 110.904 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -76.66 -41.69 44.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 70.33 110.912 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.504 ' CE1' HG21 ' A' ' 87' ' ' THR . 8.0 t80 -56.47 -38.3 71.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 71.52 110.867 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.657 ' O ' HG23 ' A' ' 118' ' ' VAL . 0.5 OUTLIER -68.09 -45.08 74.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 62.42 110.95 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -59.29 -50.95 72.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 72.21 110.885 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 33.0 pt -64.5 -23.04 32.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 72.34 111.098 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -74.48 -41.87 59.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 73.41 110.874 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 114' ' ' LEU . 8.5 t -69.88 -23.45 25.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 64.21 111.103 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -73.14 -57.05 4.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 62.32 110.904 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 2.7 p -53.73 -32.18 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 62.04 111.125 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 87.4 m -78.16 -54.17 6.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 74.14 110.873 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 11.5 t -54.0 -46.17 65.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 70.21 111.124 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -56.83 -50.12 73.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 72.22 110.874 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -64.55 -55.79 20.94 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.77 -0.729 . . . . 62.12 112.48 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.448 HG21 ' CG1' ' A' ' 19' ' ' VAL . 10.7 p -56.14 -63.05 1.31 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.794 0.331 . . . . 70.13 111.146 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.615 HG22 HD12 ' A' ' 130' ' ' LEU . 48.4 mm -55.73 -33.73 34.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 72.21 111.122 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -55.85 -53.01 44.93 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.756 -0.735 . . . . 63.55 112.43 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . 0.519 ' HG3' HD11 ' A' ' 15' ' ' ILE . 24.6 ptp -79.84 -29.55 40.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.8 0.333 . . . . 72.41 110.896 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.499 ' CD1' HG21 ' A' ' 15' ' ' ILE . 40.6 t80 -68.85 -14.61 63.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 71.05 110.874 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.615 HD12 HG22 ' A' ' 126' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 53.44 110.901 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.519 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 5.3 tt0 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.657 0.741 . . . . 72.41 110.895 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.7 Cg_endo -69.76 -24.53 29.55 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.679 2.252 . . . . 63.21 112.374 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.5 -25.81 68.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.175 -0.466 . . . . 73.11 110.918 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -68.45 -25.68 65.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 71.03 110.891 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -69.48 -60.75 2.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.504 . . . . 62.11 110.907 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.724 ' O ' HD12 ' A' ' 15' ' ' ILE . 4.2 t -52.71 -40.48 63.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 75.21 111.118 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.5 mt -57.66 -46.79 86.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 72.14 111.105 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.45 -14.6 63.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 74.35 110.868 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.404 HD11 HD11 ' A' ' 56' ' ' ILE . 0.3 OUTLIER -88.96 -23.49 22.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 72.34 110.936 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.724 HD12 ' O ' ' A' ' 11' ' ' THR . 1.2 mp -78.28 -33.35 17.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 75.12 111.175 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.53 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 1.2 mm -51.84 -57.5 14.57 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.596 0.713 . . . . 74.43 111.115 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.7 Cg_endo -69.73 -32.28 19.02 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.703 2.268 . . . . 60.03 112.346 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.1 t -52.29 -58.84 5.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 72.44 110.886 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.402 HG11 HG21 ' A' ' 125' ' ' THR . 29.2 m -66.54 -31.82 55.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 73.23 111.103 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.9 mt -63.76 -43.49 96.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 63.45 110.914 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 9.5 mt -61.49 -44.65 98.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 74.25 111.135 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -59.69 -49.06 79.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 73.01 111.129 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -34.61 58.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 53.05 110.86 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.657 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -61.66 -47.3 85.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 72.12 110.885 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.17 -35.55 81.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 44.13 111.119 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 22.6 mt -70.82 -45.49 73.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 61.13 111.149 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 35.9 mt -61.5 -27.55 68.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 63.13 110.877 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 24' ' ' LEU . 75.7 t -73.7 -46.58 47.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 74.44 111.096 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.629 ' HB2' HD21 ' A' ' 114' ' ' LEU . 21.3 m-85 -59.23 -33.34 70.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 75.44 110.898 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -80.74 -25.98 37.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.097 -0.501 . . . . 74.13 110.908 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.26 71.87 18.03 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.577 0.703 . . . . 64.41 110.947 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 119.31 6.28 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.67 2.247 . . . . 75.11 112.353 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 68.2 m -153.05 142.55 21.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 64.4 110.819 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.6 t0 63.13 167.68 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 71.24 110.877 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -101.14 -21.84 14.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 71.52 110.883 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.11 10.99 69.75 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 53.05 112.532 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -83.37 -44.96 14.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.934 0.397 . . . . 73.23 110.911 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.73 -32.22 59.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 55.22 110.861 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.564 ' O ' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -70.15 -58.9 3.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 70.12 110.907 179.874 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.99 -25.05 64.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 64.53 111.123 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.418 HD22 HG21 ' A' ' 28' ' ' VAL . 10.4 tp -64.45 -55.84 18.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.281 -0.418 . . . . 53.23 110.89 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.8 t -53.14 -41.85 65.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 72.21 110.881 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.564 HD12 ' O ' ' A' ' 39' ' ' MET . 3.6 mt -70.46 -42.58 78.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 51.21 111.119 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.48 -60.1 4.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.142 -0.481 . . . . 71.54 110.875 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 24.2 t -52.19 -36.79 21.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.501 . . . . 73.44 111.139 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.3 mt -59.67 -44.95 93.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 71.24 110.887 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.2 tt -59.84 -52.61 64.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 75.54 110.915 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.79 -36.36 72.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 40.31 111.094 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -73.39 -36.12 66.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 44.03 110.897 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 30.9 m -67.93 -37.6 81.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 72.34 111.119 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 23.3 t -63.71 -42.17 95.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 71.13 111.101 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.686 ' O ' HD12 ' A' ' 56' ' ' ILE . 5.4 m-85 -75.13 -38.51 61.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 63.44 110.862 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.3 tt -64.41 -58.43 6.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 70.5 110.883 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 18.8 mt -53.2 -37.55 62.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 62.11 110.956 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.3 tt -54.42 -53.37 54.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 72.32 110.887 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.686 HD12 ' O ' ' A' ' 52' ' ' PHE . 2.2 mp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 63.23 111.152 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.92 0.39 . . . . 75.2 110.894 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 22.1 m -69.3 -30.14 44.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 74.33 111.166 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -67.81 -33.97 81.48 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.711 -0.757 . . . . 75.12 112.514 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -68.96 -63.54 1.04 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.895 0.378 . . . . 74.3 110.933 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -52.85 -42.84 65.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 53.03 110.909 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 58.4 tp -59.74 -35.13 73.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.481 . . . . 71.53 110.934 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -50.47 73.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 73.34 110.925 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -72.8 -22.94 60.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 74.31 110.895 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.9 m -76.73 -42.92 39.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 74.23 111.117 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -38.83 92.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 71.21 110.9 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 3.4 t -61.29 -54.67 31.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 75.43 111.147 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -50.64 69.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 71.31 110.912 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 26.4 t -54.93 -40.46 53.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 75.41 111.116 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.537 ' O ' HG23 ' A' ' 86' ' ' VAL . 1.8 m -61.6 -34.49 75.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 54.32 111.137 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.28 -52.65 64.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 72.2 110.9 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.5 -49.85 63.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 75.01 110.842 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.497 ' O ' HG23 ' A' ' 89' ' ' VAL . 48.0 mm -60.48 -36.53 70.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 74.24 111.103 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 82' ' ' THR . 36.1 t -64.37 -36.07 76.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 74.22 111.122 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 7.3 m -71.76 -38.3 70.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 72.32 111.137 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.9 p -73.47 -36.62 65.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 75.02 110.865 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 85' ' ' ILE . 39.6 t -65.71 -31.03 51.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 71.5 111.116 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.66 -36.3 23.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.166 -0.47 . . . . 55.21 110.878 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.2 t -73.54 -44.13 54.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 61.11 111.093 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.7 tp . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 54.14 110.9 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.456 -0.258 . . . . 34.42 112.456 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.17 -35.98 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.824 0.345 . . . . 71.3 111.152 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -70.52 -49.01 52.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.471 . . . . 35.14 110.862 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.0 -31.18 60.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 75.42 110.807 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.99 -50.94 52.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 65.32 110.928 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.1 -24.56 65.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 72.45 110.878 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.629 HD21 ' HB2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -68.2 -43.03 78.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 71.41 110.947 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 9.3 t90 -80.28 -42.51 22.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.904 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 1.1 tt -56.25 -24.73 18.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.284 -0.416 . . . . 54.02 111.185 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.13 -59.01 2.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 71.51 110.884 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.605 ' O ' HG23 ' A' ' 122' ' ' VAL . 40.2 t -51.72 -29.95 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 71.53 111.175 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -69.8 -58.5 3.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 62.34 110.891 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 13.5 p -63.26 -28.0 44.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 73.53 111.107 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -73.63 -34.65 65.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 53.11 110.915 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 118' ' ' VAL . 5.3 t -64.19 -57.64 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 43.54 111.124 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -67.85 -26.97 66.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 63.42 110.874 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -72.74 -54.07 7.7 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.745 -0.741 . . . . 74.21 112.456 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.402 HG21 HG11 ' A' ' 19' ' ' VAL . 2.3 m -67.11 -59.28 3.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.727 0.299 . . . . 73.53 111.12 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.667 HG22 HD12 ' A' ' 130' ' ' LEU . 96.5 mt -56.05 -32.65 34.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 64.13 111.139 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -56.26 -60.24 9.28 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.773 -0.727 . . . . 62.43 112.443 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 18.4 ptp -74.57 -27.75 60.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.831 0.348 . . . . 74.31 110.87 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -72.14 -14.97 61.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 62.42 110.86 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.667 HD12 HG22 ' A' ' 126' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 54.44 110.909 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.503 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 5.9 tt0 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.63 0.729 . . . . 74.0 110.878 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.9 Cg_endo -69.78 -22.72 31.58 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.681 2.254 . . . . 75.41 112.375 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.497 ' O ' HD13 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -71.51 -38.49 71.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 70.23 110.914 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -82.18 -22.16 36.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 71.41 110.851 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -71.32 -53.39 14.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 72.35 110.915 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.6 t -52.09 -40.58 61.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 54.41 111.162 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 69.6 mt -66.38 -34.41 69.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 74.11 111.14 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -74.18 -14.23 60.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 72.52 110.896 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -88.94 -27.05 21.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 64.44 110.895 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.458 ' O ' HG22 ' A' ' 19' ' ' VAL . 49.0 mm -79.35 -30.42 13.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 74.54 111.152 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.536 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 1.4 mm -52.13 -57.44 15.17 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.63 0.728 . . . . 74.41 111.144 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.2 Cg_endo -69.84 -37.73 8.59 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.644 2.229 . . . . 63.41 112.348 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -52.47 -58.87 5.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 74.1 110.88 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 15' ' ' ILE . 32.7 m -68.14 -23.06 28.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 74.31 111.146 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.3 mt -68.64 -56.36 8.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 73.13 110.879 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 32.0 mm -53.65 -46.91 61.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 73.13 111.128 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 91.7 m -52.72 -51.82 58.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 74.34 111.127 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 p -53.59 -38.7 64.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 61.31 110.894 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.487 ' O ' HD23 ' A' ' 24' ' ' LEU . 2.7 tt -55.03 -43.54 73.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.102 -0.499 . . . . 62.34 110.913 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.405 ' HA ' HD11 ' A' ' 41' ' ' LEU . . . -67.11 -30.72 70.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 62.25 111.126 179.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.552 HD13 HG22 ' A' ' 118' ' ' VAL . 96.3 mt -75.01 -42.24 45.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 72.04 111.131 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.05 -32.84 70.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 54.41 110.939 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 49.6 t -75.34 -50.96 22.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 74.13 111.128 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -61.11 -28.8 69.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 74.21 110.864 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -81.96 -45.31 15.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 52.45 110.933 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.4 mp -124.41 70.38 54.44 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.58 0.705 . . . . 72.12 110.869 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 119.11 6.11 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.714 2.276 . . . . 61.35 112.307 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.77 -19.66 15.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 61.33 110.891 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -130.15 176.02 8.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.118 -0.492 . . . . 71.13 110.882 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 61.9 m -110.69 -19.78 12.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 75.44 110.888 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -106.77 -1.96 36.88 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.765 -0.731 . . . . 70.23 112.498 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -65.01 -32.24 73.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.904 0.383 . . . . 74.35 110.884 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.07 -55.19 33.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 72.21 110.886 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.99 -49.8 70.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 74.23 110.864 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 16.8 m -56.35 -31.06 63.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 73.21 111.129 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.405 HD11 ' HA ' ' A' ' 25' ' ' ALA . 2.7 tt -70.7 -44.09 67.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 72.11 110.878 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -52.04 -41.34 62.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.226 -0.443 . . . . 72.35 110.89 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 25.0 mm -73.45 -27.95 24.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 73.24 111.165 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.65 -59.42 3.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 73.21 110.861 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.7 p -54.78 -32.93 26.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 73.03 111.097 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.7 tp -64.65 -44.0 91.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 71.13 110.925 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.57 -39.47 80.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 60.21 110.874 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.31 -48.48 78.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 25.04 111.081 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.76 -37.21 70.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 63.15 110.945 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.09 -44.88 75.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 72.31 111.151 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.516 HG12 HD12 ' A' ' 55' ' ' LEU . 37.6 t -58.29 -36.68 59.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 72.33 111.116 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.697 ' O ' HD12 ' A' ' 56' ' ' ILE . 19.9 m-85 -66.61 -45.68 78.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 72.31 110.888 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.91 -59.09 4.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 73.21 110.94 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 22.2 tp -60.66 -33.56 73.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 74.4 110.946 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.516 HD12 HG12 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -50.29 -66.23 0.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 70.54 110.931 179.866 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.876 HG21 HG21 ' A' ' 70' ' ' VAL . 2.0 mp . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 70.12 111.115 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.908 0.385 . . . . 42.53 110.887 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.876 HG21 HG21 ' A' ' 56' ' ' ILE . 35.8 m -56.81 -31.49 35.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 73.43 111.121 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.3 -35.49 23.32 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.707 -0.758 . . . . 71.25 112.524 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.71 -48.52 81.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.894 0.378 . . . . 64.11 110.897 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -66.62 -43.48 84.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 75.1 110.924 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.28 -47.95 65.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.116 -0.493 . . . . 64.02 110.908 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 5.0 tmm? -55.67 -48.84 74.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 71.51 110.912 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -67.18 -26.11 66.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 75.33 110.865 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.3 m -72.2 -46.07 57.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 74.22 111.109 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -58.88 -36.81 75.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 63.03 110.877 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 39.1 t -63.3 -62.21 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 71.41 111.158 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.99 -44.87 83.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 62.43 110.95 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 5.8 t -54.23 -47.31 68.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 75.22 111.133 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 23.8 m -53.74 -44.89 70.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 55.32 111.184 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -61.45 -35.65 78.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 73.04 110.853 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.5 t -61.94 -37.86 86.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 64.33 110.851 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 25.7 mm -65.59 -47.4 86.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 60.3 111.15 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 76.5 t -55.28 -37.26 43.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 54.1 111.135 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.451 ' O ' HG23 ' A' ' 91' ' ' VAL . 54.2 m -72.64 -24.82 61.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 52.14 111.149 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.6 m -63.68 -59.27 4.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 61.4 110.897 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 41.8 t -65.12 -40.41 88.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 72.52 111.129 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 8.5 m -55.27 -50.33 69.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 73.15 110.891 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 87' ' ' THR . 38.2 t -58.06 -40.02 75.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 53.14 111.127 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.7 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 63.42 110.9 179.983 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.466 -0.253 . . . . 53.12 112.466 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.17 -35.99 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.818 0.342 . . . . 74.41 111.12 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.2 -47.36 77.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 72.32 110.865 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.53 -31.94 73.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 74.32 110.876 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.61 -56.21 13.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 73.4 110.908 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -59.06 -31.89 69.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 62.25 110.883 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -72.25 -49.42 35.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 64.42 110.928 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -54.54 -48.09 72.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 75.23 110.915 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 47.6 pt -66.95 -23.59 31.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 52.4 111.124 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.98 -41.11 87.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 71.53 110.837 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.552 HG22 HD13 ' A' ' 26' ' ' ILE . 22.3 t -69.66 -36.17 69.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 63.44 111.103 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -58.86 -58.83 6.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 62.22 110.903 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.9 p -59.4 -31.79 47.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 74.44 111.153 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.99 -49.22 62.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 74.24 110.87 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.7 t -66.61 -56.4 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 73.24 111.133 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -55.17 -52.32 63.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 75.4 110.896 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -57.45 -52.95 48.65 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.726 -0.75 . . . . 74.34 112.492 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.6 m -56.55 -46.73 80.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.756 0.312 . . . . 52.01 111.107 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 38.3 mt -62.45 -32.25 54.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 74.01 111.099 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -61.83 -53.37 43.76 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.759 -0.734 . . . . 64.31 112.451 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 21.9 ptp -74.79 -31.07 61.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.837 0.351 . . . . 54.43 110.877 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -67.62 -18.71 65.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 75.41 110.888 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.506 . . . . 74.03 110.946 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.531 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 3.4 tt0 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.623 0.725 . . . . 73.53 110.908 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.3 Cg_endo -69.77 -22.27 32.26 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.714 2.276 . . . . 70.23 112.343 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.85 -45.54 70.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 62.42 110.886 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.27 -22.63 61.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 73.41 110.865 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -74.58 -58.05 3.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 71.22 110.895 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.0 t -52.06 -41.02 62.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 72.32 111.122 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 18.0 mm -62.65 -38.59 81.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 73.2 111.112 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.15 -16.06 63.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 61.34 110.874 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.8 -23.68 22.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 75.41 110.908 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.456 HG23 HG23 ' A' ' 125' ' ' THR . 46.8 mm -78.75 -32.32 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 65.3 111.129 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.541 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 1.6 mt -52.34 -57.53 15.1 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.662 0.744 . . . . 74.03 111.148 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.9 Cg_endo -69.75 -33.49 16.5 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.665 2.243 . . . . 71.55 112.374 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 44.5 t -53.73 -58.46 7.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 71.11 110.888 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.8 t -65.33 -41.87 92.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.214 -0.448 . . . . 71.11 111.171 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.3 mt -56.23 -43.61 78.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 63.33 110.886 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.448 HG21 HG23 ' A' ' 45' ' ' VAL . 7.3 mt -59.52 -48.0 88.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 71.44 111.12 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.7 m -56.4 -47.85 78.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.135 -0.484 . . . . 54.1 111.163 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.06 -38.96 62.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 41.45 110.882 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.06 -48.14 79.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.119 -0.491 . . . . 64.44 110.886 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.3 -34.21 76.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 44.14 111.14 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 55.3 mt -73.13 -43.81 57.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 74.4 111.113 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.3 mt -60.91 -31.43 70.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 62.53 110.867 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 42.1 t -71.84 -37.28 61.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 74.23 111.152 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -65.86 -41.14 92.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 74.31 110.895 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -78.18 -34.47 49.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 74.13 110.928 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -130.05 72.04 82.03 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.592 0.711 . . . . 63.44 110.866 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 100.48 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.7 2.267 . . . . 74.42 112.334 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.89 119.44 37.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 63.14 110.844 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 61.08 174.08 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 74.1 110.878 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.0 m -104.55 -14.11 15.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 64.45 110.865 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -82.67 -10.06 83.79 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.765 -0.731 . . . . 51.21 112.486 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.56 -26.2 41.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.908 0.385 . . . . 65.11 110.896 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -68.17 -58.92 3.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.477 . . . . 70.02 110.872 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.03 -43.72 86.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 71.22 110.892 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 6.5 m -61.14 -39.02 88.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 40.2 111.11 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 tp -62.93 -50.13 72.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 63.31 110.926 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.4 t -54.51 -37.12 64.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 55.5 110.915 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 43.7 mt -75.16 -30.46 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 71.52 111.119 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.82 -54.28 12.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 64.01 110.867 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.448 HG23 HG21 ' A' ' 21' ' ' ILE . 7.2 p -61.98 -32.76 55.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 62.03 111.155 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.7 tt -68.86 -50.26 51.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 65.22 110.965 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 17.8 tp -58.69 -39.55 81.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 73.52 110.881 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.58 -54.68 33.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 71.21 111.071 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.596 HD11 ' CG2' ' A' ' 77' ' ' THR . 0.2 OUTLIER -55.19 -34.97 64.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 63.33 110.898 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.4 m -70.62 -38.68 73.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 62.45 111.106 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.2 t -58.92 -44.33 90.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 55.42 111.098 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.657 ' O ' HD12 ' A' ' 56' ' ' ILE . 17.9 m-85 -63.33 -42.71 98.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 71.02 110.927 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.66 -59.28 4.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 72.25 110.929 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.75 -37.47 59.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 74.12 110.914 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 tt -49.76 -66.23 0.43 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 64.13 110.919 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.848 HG21 HG21 ' A' ' 70' ' ' VAL . 1.8 mp . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 75.03 111.101 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.915 0.388 . . . . 72.12 110.824 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.848 HG21 HG21 ' A' ' 56' ' ' ILE . 34.8 m -57.44 -30.24 35.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 72.23 111.107 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -79.77 -32.97 35.25 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.699 -0.763 . . . . 71.31 112.487 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.86 -54.62 32.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.881 0.372 . . . . 74.42 110.944 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -65.36 -34.63 78.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 74.34 110.891 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.8 tp -63.82 -42.15 97.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.482 . . . . 62.51 110.857 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 44.6 ttm -57.5 -47.49 81.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 63.13 110.859 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -73.46 -25.05 60.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 73.15 110.886 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.596 ' CG2' HD11 ' A' ' 49' ' ' LEU . 2.9 m -71.89 -50.55 28.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.116 -0.493 . . . . 62.1 111.105 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -57.01 -43.1 81.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 54.14 110.899 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.9 t -54.13 -62.86 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 64.04 111.144 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.94 -38.23 78.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 65.45 110.92 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.504 HG21 ' HG ' ' A' ' 49' ' ' LEU . 5.3 t -57.97 -55.54 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 60.34 111.086 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.2 m -52.65 -31.7 38.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 73.03 111.159 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -70.7 -44.55 66.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 74.44 110.865 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.28 -30.09 66.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 74.2 110.868 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 43.0 mm -76.08 -40.22 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 75.0 111.143 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 28.0 t -53.64 -50.29 51.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 72.05 111.124 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.7 p -66.06 -37.12 85.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 72.21 111.132 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.57 -48.19 69.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 75.51 110.868 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 51.9 t -70.68 -31.64 46.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 73.12 111.146 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.24 -44.9 78.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 73.43 110.913 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.4 p -79.06 -19.15 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 64.24 111.108 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.7 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 72.21 110.898 -179.981 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.496 -0.241 . . . . 25.23 112.496 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.16 -36.02 16.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.774 0.321 . . . . 61.13 111.101 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -69.87 -53.18 19.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 63.21 110.872 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -28.72 65.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 63.53 110.87 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.26 -54.56 23.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 73.21 110.912 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -54.38 -27.44 36.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 63.34 110.888 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.8 mp -67.93 -42.59 80.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 71.54 110.938 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 32.8 t-105 -79.86 -42.32 24.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 71.4 110.902 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -56.15 -24.96 18.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 75.14 111.068 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.15 -63.57 1.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 64.05 110.872 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 52.6 t -54.48 -27.28 17.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 71.14 111.173 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -69.48 -57.08 5.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 74.13 110.906 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 14.3 p -66.87 -27.06 38.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 73.54 111.168 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 68.6 m -76.33 -53.44 8.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 73.34 110.847 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 10.5 t -55.02 -39.34 49.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 65.22 111.132 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -65.81 -59.07 4.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 74.21 110.876 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -56.38 -50.75 60.54 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 74.2 112.475 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.456 HG23 HG23 ' A' ' 15' ' ' ILE . 97.6 m -57.97 -62.66 1.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.773 0.32 . . . . 60.02 111.145 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 17.1 mm -53.87 -28.46 16.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 73.31 111.101 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -56.36 -56.72 22.95 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.718 -0.753 . . . . 72.33 112.511 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 2.3 ptt? -83.1 -22.54 33.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.791 0.329 . . . . 73.14 110.839 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -76.9 -16.33 59.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 65.54 110.859 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 71.31 110.885 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.506 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 4.8 tt0 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.62 0.724 . . . . 64.45 110.818 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.7 Cg_endo -69.74 -26.24 27.85 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.708 2.272 . . . . 74.32 112.32 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.698 HD23 HD11 ' A' ' 12' ' ' ILE . 0.3 OUTLIER -69.7 -15.17 63.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 75.33 110.926 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -61.99 -20.01 63.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 73.01 110.927 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.52 ' HE2' HD23 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -75.41 -61.02 2.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 65.4 110.895 -179.866 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.1 t -52.32 -37.26 55.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 50.51 111.147 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.698 HD11 HD23 ' A' ' 8' ' ' LEU . 84.7 mt -64.08 -40.99 91.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 71.52 111.123 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -71.3 -11.83 61.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 63.32 110.909 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.04 -27.81 20.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 70.21 110.892 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.9 mm -79.32 -30.4 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 72.5 111.086 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.541 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 1.4 mm -51.8 -57.51 14.49 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.598 0.714 . . . . 63.11 111.089 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.8 Cg_endo -69.73 -38.29 8.08 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.673 2.248 . . . . 74.14 112.34 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.7 t -52.1 -58.86 5.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 52.34 110.889 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.803 HG22 HG21 ' A' ' 125' ' ' THR . 24.7 t -61.78 -46.15 97.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 74.11 111.114 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.83 -42.99 69.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 74.42 110.942 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.771 HG23 HG22 ' A' ' 45' ' ' VAL . 4.5 mt -54.88 -48.93 73.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 63.3 111.101 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.43 HG23 ' CD2' ' A' ' 117' ' ' PHE . 41.8 m -54.4 -55.02 32.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 71.04 111.094 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.24 -40.69 61.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 63.55 110.865 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.9 -37.5 66.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 73.24 110.911 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.0 -24.97 60.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 75.42 111.133 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.72 HG23 HD11 ' A' ' 114' ' ' LEU . 77.7 mt -84.06 -58.62 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 75.41 111.097 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.17 -29.85 34.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.474 . . . . 62.03 110.863 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.477 HG21 ' HB2' ' A' ' 41' ' ' LEU . 8.4 t -80.18 -43.27 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 72.41 111.102 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -71.4 -16.96 62.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 73.31 110.885 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -90.56 -28.01 18.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 64.32 110.911 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.3 73.36 67.08 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.556 0.693 . . . . 64.13 110.918 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 81.1 0.84 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.641 2.227 . . . . 63.44 112.354 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.1 m -74.3 165.1 25.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 75.21 110.897 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.67 9.88 28.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 75.45 110.851 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 97.2 m -87.98 5.75 39.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 63.05 110.91 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 77.7 27.1 59.53 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.743 -0.742 . . . . 73.15 112.5 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.462 ' HG2' HG22 ' A' ' 28' ' ' VAL . 3.7 tt0 -62.82 -26.35 68.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.938 0.399 . . . . 73.32 110.895 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm -62.68 -54.38 40.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 72.15 110.896 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 20.8 mtt -56.81 -44.9 82.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 75.12 110.859 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 42.0 m -56.63 -41.34 76.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 73.41 111.158 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.477 ' HB2' HG21 ' A' ' 28' ' ' VAL . 1.6 tm? -56.11 -58.09 9.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 74.3 110.907 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.402 ' N ' HD13 ' A' ' 41' ' ' LEU . 1.6 t -53.64 -34.64 59.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 53.44 110.878 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 31.4 mt -72.6 -31.81 38.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 75.34 111.154 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 t -68.48 -51.23 45.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.468 . . . . 73.03 110.852 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.771 HG22 HG23 ' A' ' 21' ' ' ILE . 5.9 t -57.29 -39.53 68.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 71.54 111.155 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.8 tp -67.52 -55.88 11.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.176 -0.465 . . . . 71.31 110.9 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.67 -34.99 60.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 61.32 110.931 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.549 ' HB1' HD11 ' A' ' 21' ' ' ILE . . . -63.75 -37.69 88.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 45.31 111.063 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 32.4 tp -60.22 -50.24 74.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 74.1 110.94 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.3 m -57.77 -40.61 80.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 71.32 111.142 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.5 t -58.91 -39.46 77.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 73.53 111.156 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.664 ' O ' HD12 ' A' ' 56' ' ' ILE . 17.5 m-85 -61.99 -43.06 99.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 63.54 110.852 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.4 mt -51.77 -59.07 4.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 71.54 110.884 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.2 tp -55.84 -33.86 64.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 63.04 110.94 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.52 HD23 ' HE2' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -51.71 -63.64 1.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 75.23 110.899 179.896 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.712 HG21 HG11 ' A' ' 70' ' ' VAL . 2.0 mp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 71.52 111.115 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.893 0.378 . . . . 65.55 110.842 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.712 HG11 HG21 ' A' ' 56' ' ' ILE . 20.5 m -58.76 -33.65 49.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 64.23 111.124 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -74.09 -47.59 18.05 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.776 -0.726 . . . . 53.31 112.482 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -60.8 -39.51 89.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.88 0.371 . . . . 72.43 110.888 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -61.46 -40.83 95.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 71.24 110.898 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.53 -40.04 70.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.131 -0.486 . . . . 74.35 110.89 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 6.9 ttm -54.24 -56.36 19.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 70.21 110.885 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -63.92 -34.87 78.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 64.21 110.881 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 18.0 m -63.81 -39.79 95.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 71.14 111.132 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.5 mmt -70.32 -30.68 67.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 74.02 110.809 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 10.7 t -67.97 -54.02 25.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 71.22 111.097 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.51 -47.74 80.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 73.43 110.904 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.6 t -51.91 -53.03 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 74.24 111.11 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 97.8 m -51.82 -36.73 49.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 74.43 111.146 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -72.28 -38.74 68.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 74.05 110.879 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.35 -39.63 92.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 62.34 110.876 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 15.8 mm -66.29 -43.31 91.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 72.11 111.138 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 3.8 t -52.72 -43.37 44.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 74.44 111.113 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.62 -29.12 59.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 65.44 111.134 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.84 -56.85 16.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 72.51 110.857 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 14.3 m -69.17 -23.25 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 71.14 111.124 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -67.36 -29.0 68.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 71.44 110.887 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 24.1 t -82.42 -46.16 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 74.42 111.115 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 74.3 110.971 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.479 -0.249 . . . . 70.33 112.479 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.43 HG23 ' N ' ' A' ' 110' ' ' ASP . 3.2 tp -50.43 -48.27 25.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.823 0.344 . . . . 73.41 111.109 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.571 ' O ' HD23 ' A' ' 114' ' ' LEU . 11.8 t70 -66.58 -25.46 66.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 75.21 110.868 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.78 -48.68 24.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 75.54 110.917 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.34 -46.22 74.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 65.11 110.927 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -61.04 -27.53 68.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 72.33 110.867 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.72 HD11 HG23 ' A' ' 26' ' ' ILE . 0.5 OUTLIER -67.82 -43.69 79.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 75.54 110.93 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 51.8 t-105 -79.73 -41.67 26.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.175 -0.466 . . . . 74.34 110.894 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -56.27 -25.01 19.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 73.45 111.151 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.43 ' CD2' HG23 ' A' ' 22' ' ' THR . 0.1 OUTLIER -81.13 -60.02 2.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 71.31 110.878 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 97.8 t -51.67 -30.16 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 74.24 111.128 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.56 -57.02 5.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 74.11 110.861 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 11.5 p -65.01 -24.18 34.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 43.3 111.131 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.87 -49.88 16.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 74.23 110.896 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.9 t -53.42 -50.07 50.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 63.03 111.126 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -75.42 -31.36 60.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 75.31 110.86 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -65.62 -58.99 8.18 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.753 . . . . 74.3 112.485 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.803 HG21 HG22 ' A' ' 19' ' ' VAL . 25.7 p -56.36 -45.77 80.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.788 0.327 . . . . 65.1 111.169 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 11.4 mm -52.46 -45.31 45.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 60.13 111.139 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -59.98 -32.06 74.31 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 72.42 112.478 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 35.5 mmm -59.62 -57.71 11.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.78 0.324 . . . . 72.11 110.879 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.51 -14.04 60.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 73.32 110.836 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 1.1 tt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 74.33 110.93 -179.981 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.522 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 5.3 tt0 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 121.651 0.738 . . . . 65.52 110.869 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 54.0 Cg_endo -69.74 -23.12 31.26 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.668 2.245 . . . . 65.22 112.372 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.4 -22.46 51.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 74.31 110.951 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.06 -21.37 50.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 63.13 110.89 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -72.69 -56.9 4.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 51.4 110.929 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.3 t -52.25 -40.91 62.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 73.42 111.138 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 34.5 mt -62.12 -43.98 98.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 74.45 111.145 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -67.39 -13.68 62.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 73.21 110.875 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 mt -88.98 -24.22 22.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 71.23 110.884 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.0 mm -79.71 -30.54 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 71.41 111.113 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.539 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 4.0 mt -53.39 -57.47 16.78 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.654 0.74 . . . . 73.22 111.112 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.539 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.8 Cg_endo -69.78 -35.79 11.94 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.636 2.224 . . . . 55.44 112.346 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.4 t -52.26 -56.14 16.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 71.24 110.874 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 43.8 t -64.17 -47.48 89.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 64.22 111.153 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.8 tp -52.43 -46.34 66.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 72.23 110.915 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.431 HG23 HG22 ' A' ' 45' ' ' VAL . 31.4 mt -52.58 -50.97 38.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 73.13 111.148 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.639 HG23 ' CE2' ' A' ' 117' ' ' PHE . 58.2 m -54.16 -51.65 63.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 63.23 111.166 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.4 -40.43 65.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 50.51 110.847 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.21 -46.45 65.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 50.11 110.907 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.32 -30.01 70.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 73.44 111.063 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 94.7 mt -74.92 -45.76 42.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 74.33 111.133 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.0 mt -56.9 -36.7 70.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 74.12 110.945 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 5.0 t -68.94 -46.8 78.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 74.24 111.181 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -58.95 -30.07 67.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 74.22 110.864 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.542 ' O ' HD22 ' A' ' 31' ' ' LEU . 1.7 m-85 -81.45 -35.83 30.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 72.44 110.963 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.542 HD22 ' O ' ' A' ' 30' ' ' TYR . 3.4 mm? -123.37 72.07 47.69 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.578 0.704 . . . . 72.43 110.89 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 96.49 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.713 2.275 . . . . 74.54 112.32 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.2 164.62 23.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 41.15 110.85 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.07 36.77 2.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 72.04 110.855 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 88.6 m -111.17 18.23 19.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 72.55 110.931 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 72.4 21.14 79.55 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.719 -0.753 . . . . 54.05 112.438 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.56 -21.75 66.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.922 0.392 . . . . 54.51 110.895 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.13 -47.82 80.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 61.51 110.939 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 7.2 mtt -76.55 -39.78 51.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 75.45 110.845 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.1 m -54.52 -38.96 67.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 61.14 111.134 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.75 -44.91 54.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 75.22 110.898 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.91 -43.92 77.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 73.31 110.908 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 54.8 mt -76.13 -29.55 19.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 71.4 111.103 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.13 -55.03 13.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 74.42 110.876 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.431 HG22 HG23 ' A' ' 21' ' ' ILE . 17.3 t -55.92 -43.85 76.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 72.24 111.152 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.3 mt -57.64 -34.67 69.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 75.44 110.874 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.5 tp -63.3 -44.39 95.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 72.42 110.917 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.43 -41.56 69.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 65.32 111.118 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.506 HD21 ' CE ' ' A' ' 78' ' ' MET . 48.0 tp -60.73 -48.08 83.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 74.34 110.954 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -52.93 -44.58 67.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 72.45 111.129 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.1 t -62.6 -40.12 87.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 73.24 111.176 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.652 ' O ' HD12 ' A' ' 56' ' ' ILE . 44.7 t80 -53.19 -55.86 20.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 70.44 110.9 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.65 -59.25 4.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 74.0 110.888 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -52.74 -37.67 59.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 74.41 110.928 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.75 -65.96 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 75.31 110.899 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.652 HD12 ' O ' ' A' ' 52' ' ' PHE . 1.8 mp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 74.45 111.122 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.916 0.389 . . . . 74.13 110.872 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.583 HG21 HG21 ' A' ' 56' ' ' ILE . 21.8 m -61.78 -23.13 30.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 64.34 111.144 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -76.6 -51.46 6.51 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.688 -0.767 . . . . 52.43 112.502 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -55.08 -55.35 32.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.91 0.386 . . . . 73.02 110.913 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -52.74 -45.32 66.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 72.14 110.922 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.7 tp -56.37 -46.08 80.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 51.4 110.904 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.02 -56.44 16.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 75.32 110.859 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -60.37 -29.17 68.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 73.23 110.861 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 47.1 m -74.34 -31.45 62.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 72.53 111.184 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.506 ' CE ' HD21 ' A' ' 49' ' ' LEU . 1.8 mmt -67.3 -59.78 3.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 60.12 110.88 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 30.6 m -56.62 -30.5 32.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 70.21 111.107 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.6 mt -66.18 -53.87 32.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.447 . . . . 73.02 110.896 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.504 HG21 HD22 ' A' ' 49' ' ' LEU . 61.3 t -60.49 -49.3 84.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 72.31 111.123 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.0 m -52.3 -48.94 65.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 60.41 111.122 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.62 -39.18 64.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 73.44 110.858 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.8 t -60.75 -45.03 95.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 65.24 110.874 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 10.9 mm -58.1 -39.31 72.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 64.32 111.196 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 21.3 t -62.3 -36.16 73.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.12 -0.491 . . . . 44.03 111.15 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.78 -27.21 31.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 72.43 111.125 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.81 -43.97 86.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 73.2 110.861 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.8 t -83.5 -40.52 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 71.15 111.146 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 1.9 m -56.58 -29.52 62.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 72.34 110.887 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 41.8 t -86.72 -45.96 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 71.23 111.147 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 74.42 110.961 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.5 -0.24 . . . . 64.42 112.5 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.23 -35.95 16.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.81 0.338 . . . . 61.41 111.121 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -60.2 -53.05 62.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 75.51 110.865 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -65.19 -27.14 68.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 74.53 110.851 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -67.45 -57.43 6.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 71.21 110.91 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -55.31 -31.79 61.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 50.4 110.884 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.621 ' O ' HG23 ' A' ' 118' ' ' VAL . 0.2 OUTLIER -77.8 -47.56 18.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 51.14 110.895 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 36.2 t90 -61.28 -50.46 72.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 70.34 110.942 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 2.1 pp -61.34 -30.78 48.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 72.24 111.151 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.639 ' CE2' HG23 ' A' ' 22' ' ' THR . 14.1 t80 -76.07 -37.58 58.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 75.31 110.878 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 114' ' ' LEU . 72.4 t -68.32 -37.01 77.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 73.44 111.108 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -61.05 -57.48 12.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 75.34 110.867 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.4 p -57.77 -29.04 34.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 73.54 111.16 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -70.15 -41.14 74.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 64.24 110.88 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 33.6 t -77.72 -60.51 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 74.22 111.083 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -56.24 -43.99 79.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 74.22 110.855 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -61.34 -57.01 20.31 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.78 -0.724 . . . . 73.22 112.528 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 6.6 m -59.61 -49.85 76.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.765 0.317 . . . . 73.14 111.155 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 17.6 mm -56.99 -37.7 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 71.53 111.121 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -58.2 -60.25 9.31 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.748 -0.739 . . . . 63.24 112.458 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 19.6 ptp -66.4 -21.52 66.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.825 0.345 . . . . 74.13 110.864 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -82.95 -14.48 54.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 64.03 110.825 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.174 -0.467 . . . . 73.04 110.973 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.527 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 5.3 tt0 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 121.639 0.733 . . . . 64.31 110.854 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.9 Cg_endo -69.71 -34.59 14.45 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.677 2.251 . . . . 71.12 112.33 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.85 -19.13 63.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 62.43 110.917 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -85.59 -25.27 26.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 63.02 110.878 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -68.44 -51.04 48.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 72.1 110.933 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.57 ' O ' HD12 ' A' ' 15' ' ' ILE . 4.9 t -54.25 -39.64 67.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 64.33 111.126 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 90.8 mt -63.95 -44.06 97.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 75.12 111.113 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.58 -12.92 61.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 75.03 110.853 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.3 tt -88.67 -25.14 22.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 72.3 110.955 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.57 HD12 ' O ' ' A' ' 11' ' ' THR . 2.1 mt -79.31 -31.62 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 64.22 111.167 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.546 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 1.1 mm -51.76 -57.49 14.51 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.669 0.747 . . . . 74.45 111.137 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.546 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 54.0 Cg_endo -69.75 -37.39 9.26 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.639 2.226 . . . . 64.44 112.391 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.6 m -52.48 -58.2 7.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 74.43 110.904 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 99.6 t -62.18 -30.85 49.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 63.14 111.141 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.6 tt -64.33 -48.48 75.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 74.25 110.924 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 31.9 mm -52.62 -49.78 43.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 74.43 111.131 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.6 m -53.96 -49.74 68.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 70.15 111.141 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.68 -37.47 68.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 74.11 110.876 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.06 -42.17 76.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 75.23 110.915 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.6 -34.62 76.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 72.42 111.12 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 78.9 mt -72.98 -33.09 42.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 75.53 111.157 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.65 -37.38 73.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 75.31 110.95 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 51.8 t -63.83 -42.9 97.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 73.24 111.081 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -69.33 -26.24 64.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 71.23 110.895 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -89.39 -8.14 53.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 71.11 110.93 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -139.76 70.53 36.98 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.609 0.719 . . . . 72.5 110.937 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 92.96 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.682 2.255 . . . . 73.44 112.361 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 m -124.45 126.72 46.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 34.14 110.867 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 62.45 171.98 0.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 72.24 110.874 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -102.64 -23.9 13.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 53.44 110.902 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -74.77 -14.38 81.48 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 64.14 112.492 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -69.65 -39.89 76.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.895 0.379 . . . . 71.21 110.884 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.24 -51.18 70.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 74.12 110.875 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.5 mtt -59.79 -30.17 68.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 64.24 110.886 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.5 m -70.53 -33.73 71.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 63.54 111.186 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.494 ' O ' HG12 ' A' ' 45' ' ' VAL . 24.4 tp -62.79 -52.71 62.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 70.42 110.933 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 37.1 t -55.95 -40.49 73.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 53.51 110.848 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 78.5 mt -73.63 -23.81 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 73.23 111.149 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.4 t -76.56 -62.81 1.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 74.45 110.81 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.494 HG12 ' O ' ' A' ' 41' ' ' LEU . 3.1 p -53.25 -31.14 17.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 54.1 111.118 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 32.5 tp -72.92 -45.06 60.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 73.32 110.896 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 29.3 tp -54.59 -43.34 72.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 64.53 110.842 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.67 -41.38 99.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 74.31 111.104 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.643 HD12 HG21 ' A' ' 81' ' ' VAL . 0.6 OUTLIER -55.75 -57.52 11.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 74.31 110.918 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.5 p -59.27 -37.79 78.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.13 -0.486 . . . . 61.43 111.11 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.7 t -59.37 -48.62 86.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 60.53 111.16 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.669 ' O ' HD12 ' A' ' 56' ' ' ILE . 15.6 m-85 -53.16 -47.76 68.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 72.41 110.907 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.74 -59.12 4.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 74.14 110.928 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.86 -37.99 60.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 71.21 110.915 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.63 -65.7 0.52 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 53.43 110.932 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.956 HG21 HG21 ' A' ' 70' ' ' VAL . 1.9 mp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 73.31 111.157 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.892 0.377 . . . . 52.21 110.836 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.956 HG21 HG21 ' A' ' 56' ' ' ILE . 34.1 m -64.76 -31.52 54.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 64.11 111.15 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -73.75 -43.45 35.43 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.756 -0.735 . . . . 64.34 112.488 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -58.67 -54.08 51.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.87 0.367 . . . . 75.13 110.901 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -52.62 -47.32 67.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.12 -0.491 . . . . 72.22 110.931 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.86 -37.73 71.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.107 -0.497 . . . . 64.43 110.885 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -56.64 -48.43 77.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 71.43 110.87 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.53 -32.16 70.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 72.32 110.866 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 16.0 m -71.81 -36.12 70.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 54.25 111.167 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.1 mmt -57.55 -58.92 6.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 73.13 110.874 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 7.0 p -59.06 -36.57 63.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 44.32 111.099 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.59 -50.36 69.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 70.23 110.936 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.643 HG21 HD12 ' A' ' 49' ' ' LEU . 42.8 t -60.58 -41.76 89.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 71.13 111.125 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.2 m -55.22 -39.03 69.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 52.11 111.154 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.97 -42.02 97.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 75.33 110.943 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.62 -40.71 97.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 62.01 110.865 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 9.2 mm -56.74 -44.33 81.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 74.42 111.121 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 65.4 t -58.88 -43.77 89.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 73.42 111.154 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 27.3 m -69.89 -33.25 71.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 73.5 111.197 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.61 -44.43 77.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 63.11 110.881 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 14.3 t -75.52 -30.79 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 74.44 111.094 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.62 -42.17 98.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 71.11 110.883 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.6 t -78.87 -35.21 17.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.475 . . . . 62.24 111.097 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.4 tp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 62.53 110.937 179.955 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.516 -0.234 . . . . 60.22 112.516 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.2 -35.94 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.833 0.349 . . . . 63.35 111.18 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -57.98 -46.63 84.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 65.15 110.834 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -63.26 -32.64 74.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 75.23 110.863 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.3 mt -67.85 -43.02 80.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 73.42 110.924 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -66.68 -39.27 88.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 65.14 110.874 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.39 -44.07 75.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 75.43 110.921 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 5.8 t90 -57.02 -57.35 12.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 72.42 110.921 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 42.7 pt -56.71 -26.18 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.421 . . . . 74.25 111.14 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -79.51 -34.47 41.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 71.11 110.889 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.47 ' O ' HG23 ' A' ' 122' ' ' VAL . 34.2 t -75.18 -38.22 41.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 72.32 111.135 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -64.87 -47.8 76.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 71.0 110.861 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 13.7 p -66.77 -28.82 44.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 74.53 111.162 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 44.2 t -72.74 -32.21 65.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 73.42 110.88 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.478 HG12 HD12 ' A' ' 126' ' ' ILE . 74.4 t -81.09 -61.07 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 74.23 111.088 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -60.64 -27.56 67.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 74.21 110.868 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -71.04 -53.34 10.93 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.76 -0.733 . . . . 54.52 112.455 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 28.5 m -64.0 -39.55 94.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.717 0.294 . . . . 73.31 111.133 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.478 HD12 HG12 ' A' ' 122' ' ' VAL . 70.0 mt -68.06 -24.8 30.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 72.31 111.147 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -70.95 -46.39 45.1 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.718 -0.753 . . . . 30.33 112.511 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 19.9 ptp -78.9 -22.13 46.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.735 0.302 . . . . 75.32 110.844 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -82.51 -44.73 15.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 74.41 110.859 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 73.41 110.946 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.7 p30 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.773 0.32 . . . . 70.3 110.9 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -112.89 138.27 49.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 71.32 111.105 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 -112.88 30.87 6.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 73.04 110.868 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 57.46 27.12 13.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 71.11 110.908 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.528 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.5 tt0 -53.08 -58.41 12.48 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.694 0.759 . . . . 74.33 110.922 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.1 Cg_endo -69.83 -28.47 24.87 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.656 2.238 . . . . 74.41 112.324 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.476 HD23 ' CG1' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -75.6 -15.32 60.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.447 . . . . 72.23 110.854 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -60.53 -27.81 67.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 72.02 110.886 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -74.92 -60.6 2.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 63.1 110.898 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.695 ' O ' HD12 ' A' ' 15' ' ' ILE . 4.0 t -52.65 -40.91 63.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 72.23 111.105 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.476 ' CG1' HD23 ' A' ' 8' ' ' LEU . 11.6 mm -64.35 -44.34 97.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 62.43 111.119 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -68.87 -12.58 61.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 74.32 110.905 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.0 tt -88.96 -25.62 21.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.119 -0.491 . . . . 60.24 110.917 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.695 HD12 ' O ' ' A' ' 11' ' ' THR . 1.9 mt -79.26 -31.55 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 63.04 111.136 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.537 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 3.5 mt -51.89 -57.41 14.95 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.625 0.726 . . . . 73.54 111.125 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.6 Cg_endo -69.78 -36.21 11.16 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.699 2.266 . . . . 63.15 112.313 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.5 t -52.0 -57.5 9.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 61.02 110.858 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.498 HG22 HG21 ' A' ' 125' ' ' THR . 23.5 t -62.76 -33.33 59.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 73.33 111.153 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 34.8 mt -64.96 -46.32 82.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 71.0 110.937 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.5 mt -52.83 -47.98 51.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 73.34 111.11 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 71.3 m -53.18 -50.5 64.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 64.52 111.131 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.27 -39.16 66.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 71.54 110.885 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.09 -41.38 71.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 72.04 110.878 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.96 -27.08 64.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 71.34 111.088 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.431 HD11 HG22 ' A' ' 118' ' ' VAL . 97.2 mt -80.51 -35.69 15.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 75.32 111.092 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.49 -36.7 85.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 73.33 110.913 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.9 t -70.88 -47.08 64.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 71.53 111.125 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -61.33 -23.56 65.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 74.42 110.886 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -84.78 -26.18 27.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 74.24 110.932 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 mp -116.07 71.69 4.33 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.666 0.746 . . . . 61.14 110.921 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 81.58 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.717 2.278 . . . . 64.5 112.372 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.8 p -124.1 127.29 47.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 64.1 110.858 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 t70 60.8 -177.19 0.11 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 75.24 110.823 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 18.9 m -111.08 -27.59 8.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 73.25 110.859 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.9 -24.11 62.25 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.744 . . . . 55.41 112.484 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -70.83 -36.7 73.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.893 0.378 . . . . 71.04 110.837 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -75.58 -36.13 60.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 73.43 110.909 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -68.96 -44.55 72.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 33.25 110.895 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 6.2 t -72.01 -24.99 61.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 71.04 111.158 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.466 HD13 ' N ' ' A' ' 42' ' ' CYS . 1.6 tm? -64.77 -61.43 2.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 72.33 110.925 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.466 ' N ' HD13 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -53.26 -48.14 68.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 71.54 110.859 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 58.9 mt -60.0 -35.41 60.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 75.35 111.115 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.0 m -68.37 -57.32 6.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 71.43 110.855 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.5 t -52.91 -34.12 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 72.44 111.133 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.6 tp -65.32 -43.56 90.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 74.13 110.919 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.55 -39.65 88.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 62.15 110.886 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.78 -44.87 86.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 54.12 111.063 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.523 HD22 HG21 ' A' ' 81' ' ' VAL . 26.1 tp -65.14 -51.97 57.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.437 . . . . 72.23 110.882 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.3 m -55.03 -44.75 74.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 71.12 111.127 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.5 t -58.77 -41.56 82.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 62.34 111.109 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.656 ' O ' HD12 ' A' ' 56' ' ' ILE . 9.0 m-85 -60.1 -43.77 95.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 75.23 110.882 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.1 tt -51.73 -59.18 4.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.488 . . . . 75.33 110.892 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.92 -37.41 60.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 71.33 110.899 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.9 -65.9 0.48 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 70.42 110.922 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.656 HD12 ' O ' ' A' ' 52' ' ' PHE . 1.8 mp -71.72 -20.47 20.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 64.43 111.153 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.1 t -48.11 -41.68 27.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 73.02 110.859 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -95.59 -21.73 18.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.123 -0.49 . . . . 75.21 110.886 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 29.0 mm -97.55 67.42 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 55.42 111.133 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.5 t 64.93 75.07 0.37 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.606 0.717 . . . . 55.41 111.13 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 167.74 23.5 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.73 2.287 . . . . 74.35 112.307 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -17.76 37.3 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.663 2.242 . . . . 73.44 112.335 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 19.8 p -100.76 39.87 1.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 55.35 111.127 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 75.2 m -156.97 27.28 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 75.12 110.892 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.9 p -158.48 -177.67 6.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 51.21 110.862 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -103.92 -42.82 5.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 74.43 110.876 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 43.2 m -129.43 68.81 80.79 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.668 0.747 . . . . 72.54 110.829 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 153.79 68.47 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.692 2.261 . . . . 71.12 112.305 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 77.7 p -99.2 -33.22 10.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 72.33 110.884 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.587 ' HB ' HG21 ' A' ' 56' ' ' ILE . 9.1 p -58.01 -32.21 43.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 60.25 111.136 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -68.02 -35.08 83.27 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.766 -0.731 . . . . 41.24 112.47 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -54.66 -61.92 1.99 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.866 0.365 . . . . 70.53 110.926 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -59.37 -30.49 68.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 73.15 110.939 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -41.2 96.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.054 -0.521 . . . . 75.51 110.916 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.85 -56.11 17.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 75.54 110.823 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.93 -36.19 72.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.421 . . . . 71.21 110.902 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.508 ' O ' HG23 ' A' ' 81' ' ' VAL . 2.3 m -71.96 -35.68 69.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 71.41 111.128 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.0 mmt -59.47 -57.0 14.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 61.44 110.907 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 29.2 m -58.16 -31.45 41.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 73.45 111.151 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.37 -46.3 60.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 63.22 110.944 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.523 HG21 HD22 ' A' ' 49' ' ' LEU . 54.0 t -56.26 -46.54 81.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 73.52 111.149 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.6 m -56.14 -44.18 78.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 61.13 111.17 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.84 -40.15 69.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 73.33 110.895 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 32.9 t -64.07 -43.92 93.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 64.32 110.862 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 51.7 mm -57.48 -37.88 60.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 73.41 111.116 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 9.8 t -59.36 -48.44 87.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 70.25 111.123 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 12.2 p -67.29 -39.94 86.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 54.03 111.136 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.94 -47.8 70.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 74.43 110.843 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 93.4 t -73.17 -40.7 58.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.5 . . . . 72.31 111.167 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 1.2 m -53.1 -30.95 39.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 74.53 110.89 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 92.4 t -86.73 -38.83 12.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 74.52 111.065 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.0 tp -53.94 -57.04 12.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 73.42 110.934 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -92.2 152.13 20.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 73.13 110.861 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 10.4 p -111.3 149.71 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 74.11 111.122 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -110.8 108.37 18.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 62.3 110.834 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 5.2 m170 -85.0 102.29 13.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 65.51 110.877 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.56 176.32 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 73.13 110.851 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -162.12 160.54 21.5 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.681 0.753 . . . . 63.11 110.829 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -38.1 8.31 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.643 2.229 . . . . 61.24 112.367 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -119.11 173.05 7.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 71.42 110.861 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.22 129.26 37.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.475 . . . . 73.11 111.184 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 27.3 m-70 -61.35 -172.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 74.32 110.865 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.9 m -123.67 105.36 9.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 72.31 111.112 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 100.3 -163.11 18.95 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.741 . . . . 23.51 112.469 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.8 133.92 0.33 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.74 . . . . 23.01 112.502 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -140.83 46.15 0.93 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 74.31 112.518 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 86.07 13.04 69.75 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.686 -0.769 . . . . 75.31 112.49 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -101.98 6.61 54.25 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.709 -0.758 . . . . 70.13 112.505 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.21 -35.97 16.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.811 0.339 . . . . 72.15 111.136 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -68.09 -52.92 29.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 72.4 110.891 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.7 -26.04 66.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 75.11 110.864 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.96 -49.15 66.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 73.51 110.918 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.01 -24.59 66.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 74.53 110.822 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.87 -44.94 75.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 74.12 110.918 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -79.63 -42.15 25.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 73.34 110.934 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 1.1 tt -56.32 -24.61 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 61.41 111.165 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.405 ' O ' HG12 ' A' ' 120' ' ' VAL . 3.9 t80 -81.11 -59.21 2.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 65.44 110.842 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.518 ' O ' HG23 ' A' ' 122' ' ' VAL . 47.8 t -54.46 -27.05 16.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 62.11 111.123 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.82 -58.78 3.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 74.24 110.889 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.405 HG12 ' O ' ' A' ' 117' ' ' PHE . 8.4 p -59.31 -23.61 25.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 72.0 111.1 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 5.2 m -78.0 -43.31 29.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 75.31 110.906 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 118' ' ' VAL . 24.6 t -58.53 -34.23 50.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 71.43 111.136 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -76.76 -45.69 28.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 61.34 110.87 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -64.55 -52.48 42.78 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 74.4 112.476 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.498 HG21 HG22 ' A' ' 19' ' ' VAL . 70.1 p -56.71 -47.69 79.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.801 0.334 . . . . 61.5 111.176 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 29.4 mt -66.82 -32.79 59.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 62.23 111.109 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -54.38 -50.14 57.64 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.668 -0.777 . . . . 54.24 112.507 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 20.7 ptp -80.03 -20.0 46.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.847 0.356 . . . . 75.12 110.889 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -81.14 -16.26 53.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 73.04 110.86 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -85.21 1.08 49.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 62.52 110.961 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.523 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 2.5 tt0 -52.61 -58.42 11.96 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.606 0.717 . . . . 73.55 110.972 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 131' ' ' GLN . 53.1 Cg_endo -69.84 150.99 68.45 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.647 2.231 . . . . 74.31 112.342 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.454 HD21 ' HA ' ' A' ' 137' ' ' GLU . 2.3 pt? -66.86 -26.36 66.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 61.51 110.942 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -174.77 -178.22 1.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 63.12 110.866 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -71.42 -18.81 62.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 72.04 110.925 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -108.46 63.61 0.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 73.5 110.886 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.454 ' HA ' HD21 ' A' ' 133' ' ' LEU . 1.1 mt-10 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 71.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.0 m120 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.849 0.357 . . . . 73.1 110.896 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -113.27 133.08 55.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 75.12 111.077 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -124.77 48.22 2.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 74.13 110.898 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -97.22 -21.23 17.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 75.33 110.905 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.518 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 5.2 tt0 -55.06 -58.42 14.87 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.628 0.728 . . . . 73.23 110.909 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.4 Cg_endo -69.81 -40.14 5.59 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.655 2.237 . . . . 73.04 112.35 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.93 -15.73 63.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 72.43 110.885 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -60.37 -25.12 65.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 74.24 110.852 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -77.73 -60.79 2.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 65.13 110.926 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.9 t -52.38 -40.84 62.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 73.3 111.14 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.2 mm -62.52 -42.34 95.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 74.31 111.124 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -66.52 -15.48 63.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 64.44 110.925 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.534 HD11 HD11 ' A' ' 56' ' ' ILE . 0.2 OUTLIER -88.69 -24.15 22.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 51.4 110.92 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 46.6 mm -78.71 -32.46 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 71.33 111.127 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.545 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 1.6 mm -51.85 -57.51 14.54 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.62 0.724 . . . . 63.03 111.098 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.545 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 54.2 Cg_endo -69.73 -33.48 16.63 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.689 2.259 . . . . 62.24 112.353 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 44.3 t -52.05 -55.76 18.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 72.23 110.922 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.578 ' CG1' HG21 ' A' ' 125' ' ' THR . 18.4 m -74.88 -22.81 17.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 72.13 111.128 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.6 tt -68.24 -46.12 71.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 75.32 110.898 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.461 ' CG2' HG22 ' A' ' 45' ' ' VAL . 5.4 mt -65.72 -43.49 93.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 64.41 111.134 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.3 m -59.9 -48.66 80.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 54.52 111.092 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.665 ' HA ' HD12 ' A' ' 26' ' ' ILE . 1.9 p -56.17 -39.03 71.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 73.15 110.896 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.4 mt -59.54 -45.59 91.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 72.24 110.932 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.02 -29.47 69.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 71.43 111.069 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.665 HD12 ' HA ' ' A' ' 23' ' ' SER . 53.2 mt -72.3 -38.64 62.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 64.21 111.18 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 mt -60.86 -48.16 83.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 65.12 110.903 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 36.6 t -58.55 -38.04 68.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 63.22 111.151 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -73.51 -25.99 60.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 75.12 110.859 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -85.55 -15.82 41.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.195 -0.457 . . . . 73.33 110.963 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.2 mp -111.56 160.66 28.64 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.608 0.718 . . . . 74.12 110.946 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 97.15 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.739 2.293 . . . . 71.04 112.344 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.44 94.97 1.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 52.14 110.864 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -130.75 21.55 5.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 61.24 110.913 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.35 -20.24 57.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 52.01 110.887 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 140.05 -10.25 3.06 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.76 -0.733 . . . . 61.33 112.502 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.94 -30.04 32.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.855 0.36 . . . . 52.4 110.863 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.26 -54.73 41.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 74.31 110.94 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.6 mtm -57.81 -47.51 82.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 42.35 110.897 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 54.6 m -58.27 -27.62 64.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 73.23 111.176 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.5 HD23 HG23 ' A' ' 45' ' ' VAL . 2.7 tt -76.32 -37.69 57.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 44.14 110.911 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -56.61 -42.2 78.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 72.12 110.866 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 98.2 mt -69.6 -40.41 79.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 42.3 111.121 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 54.2 m -60.68 -53.26 59.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 64.23 110.853 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.5 HG23 HD23 ' A' ' 41' ' ' LEU . 11.1 t -53.35 -41.98 46.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 73.43 111.135 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.4 tp -69.25 -37.65 78.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 53.52 110.934 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.16 -51.67 68.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 70.31 110.951 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.09 -36.93 73.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 41.52 111.099 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.2 tp -64.29 -43.41 94.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 73.21 110.926 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.58 -34.93 71.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 72.01 111.134 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 42.3 t -61.51 -61.6 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 65.31 111.137 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.547 ' O ' HD12 ' A' ' 56' ' ' ILE . 1.4 m-85 -62.61 -37.42 86.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 71.24 110.907 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.8 tp -57.51 -52.96 63.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 63.12 110.867 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.8 tp -57.36 -38.12 73.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 62.34 110.935 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.11 -62.33 1.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 73.52 110.917 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.547 HD12 ' O ' ' A' ' 52' ' ' PHE . 1.7 mp -55.6 -34.66 36.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 73.33 111.115 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.58 -48.5 66.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 53.04 110.887 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.74 -21.54 62.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.498 . . . . 72.22 110.885 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.423 ' O ' HG13 ' A' ' 60' ' ' VAL . 13.9 mt 65.94 108.46 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 71.12 111.158 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.423 HG13 ' O ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -157.45 69.26 4.23 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.611 0.72 . . . . 54.34 111.096 179.904 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 167.8 23.43 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.634 2.223 . . . . 54.03 112.36 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -9.09 25.25 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.66 2.24 . . . . 73.32 112.329 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 72.2 p -144.1 109.99 5.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 74.32 111.165 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.5 m -59.67 99.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 72.41 110.866 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.8 p -136.45 -176.78 4.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 74.3 110.861 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -113.6 31.59 6.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.494 . . . . 63.23 110.86 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.0 m -132.35 68.83 80.04 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.722 0.773 . . . . 74.33 110.849 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 133.03 24.52 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.739 2.293 . . . . 73.44 112.299 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.67 -1.18 7.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 74.11 110.844 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.9 m -70.19 -22.54 24.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 64.33 111.142 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -73.64 -32.47 59.37 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.733 -0.746 . . . . 74.11 112.456 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -62.7 -58.8 6.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.877 0.37 . . . . 65.25 110.906 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -60.3 -37.98 82.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 72.22 110.926 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 25.1 tp -62.92 -39.49 94.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.499 . . . . 75.2 110.886 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 7.1 tpp -56.13 -53.41 57.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 75.2 110.893 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.11 -26.38 65.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 73.3 110.873 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.0 m -69.64 -40.62 76.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 41.12 111.11 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -68.96 -30.17 68.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 72.34 110.892 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 5.6 t -70.83 -51.78 33.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 70.31 111.145 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.63 -46.04 84.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 74.32 110.9 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.3 t -59.1 -40.32 80.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 72.05 111.097 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.494 ' O ' HG23 ' A' ' 86' ' ' VAL . 3.4 m -59.52 -40.43 87.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 70.42 111.199 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -63.66 -42.14 98.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 64.02 110.925 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.09 -56.29 23.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 65.53 110.859 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 27.4 mm -52.65 -43.39 43.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 70.41 111.093 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 82' ' ' THR . 42.6 t -54.38 -39.74 45.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 65.24 111.085 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.424 ' O ' HG23 ' A' ' 91' ' ' VAL . 0.2 OUTLIER -74.75 -30.31 61.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 62.34 111.133 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 75.3 m -67.04 -51.0 60.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 61.44 110.895 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 38.4 t -59.87 -36.16 64.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 63.45 111.115 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 1.2 m -60.73 -43.71 97.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 70.44 110.897 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 87' ' ' THR . 69.7 t -56.14 -50.81 68.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 71.21 111.113 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -60.24 -33.24 72.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 70.42 110.912 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 61.6 m-20 -90.24 90.62 8.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 71.14 110.9 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 12.6 p -125.9 143.91 37.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 74.25 111.105 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -155.4 -54.7 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 74.43 110.838 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 60.03 97.35 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 74.53 110.836 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.03 110.75 2.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 73.32 110.913 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.5 160.52 48.01 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.662 0.744 . . . . 74.42 110.859 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -38.45 7.86 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.679 2.253 . . . . 62.53 112.38 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -131.95 157.42 44.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 75.5 110.899 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 36.4 p -127.67 108.77 11.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 73.22 111.151 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -130.74 9.61 5.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 52.21 110.828 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.25 142.66 24.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 74.03 111.113 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -83.41 -156.83 23.07 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.692 -0.766 . . . . 62.24 112.502 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -151.62 -157.74 8.04 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.72 -0.752 . . . . 60.23 112.497 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 168.09 165.12 24.95 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.698 -0.763 . . . . 65.01 112.471 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -90.4 -172.99 44.59 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.706 -0.759 . . . . 70.34 112.478 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 105.92 -15.67 44.03 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 22.23 112.487 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.21 -35.95 16.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.837 0.351 . . . . 74.22 111.132 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -70.86 -53.11 16.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 71.52 110.846 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -26.58 62.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 74.14 110.869 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 31.4 mt -73.6 -54.04 9.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 74.35 110.928 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -60.87 -32.6 72.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 73.42 110.847 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.654 ' O ' HG23 ' A' ' 118' ' ' VAL . 1.4 mm? -71.42 -46.28 60.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 73.43 110.913 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 8.0 t90 -57.22 -55.66 31.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 75.13 110.92 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 26.1 pt -59.58 -25.62 32.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 51.41 111.092 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -74.98 -37.38 61.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 71.24 110.868 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 114' ' ' LEU . 41.1 t -67.55 -29.36 45.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 71.34 111.142 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -71.09 -55.57 7.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 71.13 110.844 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 10.5 p -61.52 -33.57 57.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 63.44 111.14 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -68.91 -55.53 10.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 53.52 110.87 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 70.8 t -63.28 -48.39 87.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 64.52 111.137 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -62.28 -38.59 89.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 61.45 110.826 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -70.03 -57.9 6.62 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.746 . . . . 60.31 112.471 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.578 HG21 ' CG1' ' A' ' 19' ' ' VAL . 38.0 p -54.93 -59.5 4.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.79 0.328 . . . . 74.33 111.175 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 49.8 mm -56.3 -31.83 33.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 73.15 111.11 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -54.63 -55.39 27.53 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.708 -0.758 . . . . 63.24 112.467 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 21.9 ptp -82.12 -22.14 36.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.804 0.335 . . . . 75.44 110.894 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -72.51 -22.32 61.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 75.35 110.89 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.2 2.7 45.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.148 -0.478 . . . . 71.1 110.928 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.52 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 1.8 tt0 -53.11 -58.5 12.15 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.625 0.726 . . . . 73.25 110.89 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 131' ' ' GLN . 53.5 Cg_endo -69.73 150.92 69.06 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.704 2.269 . . . . 63.52 112.353 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -66.94 -26.33 66.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 71.21 110.913 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -174.65 -179.2 1.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 61.3 110.877 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -67.14 -20.11 65.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 75.31 110.87 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -104.01 56.12 0.73 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 75.43 110.91 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 65.32 110.898 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.6 p30 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.822 0.344 . . . . 72.31 110.894 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.59 167.85 6.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 41.33 111.109 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -112.23 5.41 18.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 75.51 110.866 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -108.55 -14.46 14.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 73.52 110.86 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.521 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 1.8 tt0 -63.34 -58.48 15.55 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.637 0.732 . . . . 72.51 110.854 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.6 Cg_endo -69.74 -18.9 36.83 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.664 2.243 . . . . 72.31 112.36 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.26 -16.16 53.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 73.22 110.913 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -58.75 -23.31 59.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 64.4 110.866 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.525 ' OH ' HD21 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -79.29 -60.65 2.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 74.51 110.904 -179.817 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.735 ' O ' HD12 ' A' ' 15' ' ' ILE . 3.7 t -52.18 -40.52 61.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 62.11 111.16 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 91.1 mt -63.16 -43.9 99.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 75.51 111.151 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -67.71 -14.2 62.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 73.33 110.907 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.92 -24.36 22.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.473 . . . . 73.21 110.894 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.735 HD12 ' O ' ' A' ' 11' ' ' THR . 1.3 mp -78.73 -32.19 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 61.33 111.132 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.537 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 3.7 mt -51.97 -57.5 14.72 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.622 0.725 . . . . 75.52 111.107 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.5 Cg_endo -69.77 -33.64 16.16 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.689 2.259 . . . . 74.22 112.319 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.0 t -53.05 -58.72 6.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 71.31 110.878 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 58.2 t -62.86 -45.88 97.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 74.04 111.16 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.5 mt -53.95 -43.0 69.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 72.03 110.952 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.621 HG21 HG23 ' A' ' 45' ' ' VAL . 11.6 mt -55.77 -47.26 79.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 72.11 111.193 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.9 m -58.02 -53.67 55.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 63.23 111.122 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 t -52.81 -39.36 62.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 42.03 110.863 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.73 -42.61 71.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 73.12 110.908 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.95 -32.03 72.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 45.01 111.085 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.48 HD11 HG22 ' A' ' 118' ' ' VAL . 96.8 mt -73.02 -51.27 27.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 74.23 111.156 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.4 mt -52.75 -31.06 36.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 71.13 110.938 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.1 t -70.69 -43.88 77.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 62.12 111.169 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -74.43 -25.63 59.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 62.13 110.882 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.505 ' C ' HD22 ' A' ' 31' ' ' LEU . 0.1 OUTLIER -80.99 -30.83 34.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 71.34 110.988 -179.905 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.505 HD22 ' C ' ' A' ' 30' ' ' TYR . 4.6 mm? -123.24 69.87 41.41 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.631 0.729 . . . . 54.31 110.893 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 85.38 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.703 2.269 . . . . 65.44 112.366 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.9 p -109.06 -35.65 6.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.424 . . . . 63.42 110.869 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -124.25 127.69 48.06 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.177 -0.465 . . . . 75.32 110.903 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 13.3 t -75.74 -26.49 57.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 62.14 110.899 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -79.43 -7.48 88.45 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.752 -0.737 . . . . 64.22 112.426 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -71.57 -28.65 63.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.903 0.382 . . . . 64.32 110.874 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.2 mptt -62.13 -45.36 93.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 73.54 110.884 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.6 mmm -64.52 -48.08 76.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 71.03 110.874 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.457 ' HA ' HD12 ' A' ' 43' ' ' ILE . 71.8 p -56.48 -34.71 67.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 63.41 111.162 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.589 ' O ' HG12 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -64.98 -48.45 73.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 71.12 110.904 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 8.7 t -54.45 -33.32 59.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 70.03 110.897 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.457 HD12 ' HA ' ' A' ' 40' ' ' THR . 9.0 mt -76.39 -42.03 36.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 65.13 111.14 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.56 -53.8 36.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 65.21 110.883 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.621 HG23 HG21 ' A' ' 21' ' ' ILE . 8.2 p -58.03 -32.85 44.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 74.22 111.148 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.68 -41.21 54.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 75.12 110.926 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.6 tp -59.7 -51.23 70.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 63.25 110.974 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.17 -50.63 66.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 70.01 111.081 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 54.1 mt -62.64 -26.88 68.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 64.23 110.93 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 99.1 m -81.23 -26.75 35.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 70.14 111.123 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.7 t -65.83 -60.61 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 71.22 111.143 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.599 ' O ' HD12 ' A' ' 56' ' ' ILE . 12.4 m-85 -63.69 -38.41 91.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 74.44 110.897 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 23.8 tp -53.61 -54.87 31.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 64.34 110.931 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.58 -34.03 66.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 63.1 110.943 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.525 HD21 ' OH ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -52.11 -57.38 9.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 61.24 110.973 179.837 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.821 HG23 ' HA ' ' A' ' 60' ' ' VAL . 3.7 mp -79.03 -23.81 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 71.32 111.118 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.5 t -52.16 -33.16 39.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 64.15 110.833 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.52 -50.0 5.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 73.14 110.93 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 25.6 mm -149.84 131.87 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 71.41 111.169 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.821 ' HA ' HG23 ' A' ' 56' ' ' ILE . 3.1 m -51.08 156.26 1.85 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.606 0.717 . . . . 64.54 111.187 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 167.73 23.66 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.683 2.255 . . . . 65.51 112.365 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -9.08 25.23 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.668 2.245 . . . . 71.25 112.342 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.497 HG22 ' O ' ' A' ' 7' ' ' PRO . 44.5 p -53.14 -45.55 68.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 74.32 111.188 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.17 148.09 19.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 51.3 110.877 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.9 t -99.05 -36.8 9.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 73.23 110.909 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.48 131.84 54.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 73.54 110.812 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.1 t 61.91 71.81 0.71 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.7 0.762 . . . . 74.35 110.891 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 173.42 10.99 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.741 2.294 . . . . 72.14 112.351 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.8 m -129.03 16.17 6.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 64.12 110.844 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.57 HG21 HG21 ' A' ' 56' ' ' ILE . 10.6 p -64.52 -33.36 62.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 73.23 111.139 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -63.47 -39.06 97.28 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.776 -0.726 . . . . 73.2 112.444 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.33 -52.89 62.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.844 0.354 . . . . 74.52 110.866 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -68.35 -40.14 81.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 75.45 110.968 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 11.7 tp -57.15 -46.09 83.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 71.11 110.937 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 1.5 ttt -57.75 -53.04 62.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 52.23 110.864 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -61.7 -32.45 72.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 73.42 110.906 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.445 ' O ' HG23 ' A' ' 81' ' ' VAL . 1.5 m -69.0 -51.6 37.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 71.43 111.148 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.9 mmt -57.29 -42.34 81.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 63.03 110.878 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 40.7 t -54.46 -57.87 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 75.25 111.126 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.71 -42.09 96.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 63.54 110.887 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 77' ' ' THR . 24.8 t -55.05 -51.33 55.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 70.34 111.165 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.457 ' O ' HG23 ' A' ' 86' ' ' VAL . 7.2 m -51.88 -45.16 64.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 73.41 111.13 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -68.6 -45.13 72.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 74.05 110.845 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.75 -47.67 70.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 52.11 110.859 -179.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 29.3 mm -61.1 -41.06 87.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 64.22 111.107 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 82' ' ' THR . 54.8 t -60.82 -43.85 96.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 74.24 111.117 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.29 -33.93 65.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 75.42 111.148 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.75 -61.35 2.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 74.4 110.859 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 34.8 m -65.23 -22.19 30.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 75.41 111.114 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 8.6 t -69.0 -31.17 69.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 61.13 110.848 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 37.1 t -89.36 -35.58 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 62.11 111.124 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.4 tp -61.94 -35.15 77.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 73.25 110.895 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -162.82 179.8 7.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 65.32 110.848 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.5 p -102.15 151.46 5.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 74.54 111.105 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -150.88 125.95 9.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 73.3 110.859 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 58.07 77.39 0.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 70.53 110.856 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.03 -176.8 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 75.03 110.9 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.99 160.56 43.17 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.67 0.748 . . . . 62.21 110.851 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -40.18 5.58 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.695 2.264 . . . . 52.35 112.307 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -160.82 176.7 11.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 61.12 110.865 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 36.0 p -93.47 120.4 33.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 74.22 111.152 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -53.37 -56.69 14.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.464 . . . . 61.4 110.86 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.7 m 57.42 61.52 2.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 64.14 111.17 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 87.31 -59.51 4.42 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.739 -0.743 . . . . 64.3 112.471 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 167.38 106.43 0.19 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.76 -0.733 . . . . 61.14 112.507 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 175.63 -157.73 24.32 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.787 -0.72 . . . . 62.23 112.537 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 129.29 -68.99 0.54 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.743 -0.741 . . . . 52.52 112.491 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 84.0 9.2 82.89 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.692 -0.766 . . . . 72.13 112.502 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.2 -35.99 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.83 0.348 . . . . 74.14 111.122 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.511 ' O ' HD12 ' A' ' 114' ' ' LEU . 6.7 m-20 -67.71 -55.39 13.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 72.32 110.863 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -29.48 67.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 63.11 110.879 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.0 mt -64.41 -56.08 16.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 75.11 110.923 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.25 -24.6 64.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 75.42 110.879 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.511 HD12 ' O ' ' A' ' 110' ' ' ASP . 0.3 OUTLIER -68.25 -43.37 78.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 71.55 110.926 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -80.21 -42.38 23.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 74.22 110.906 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 1.1 tt -56.32 -24.74 18.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.27 -0.423 . . . . 65.13 111.124 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.13 -59.24 2.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 74.22 110.842 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.48 HG22 HD11 ' A' ' 26' ' ' ILE . 65.7 t -52.53 -29.43 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 70.12 111.162 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -69.52 -61.33 1.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 74.02 110.88 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 9.3 p -60.88 -30.48 47.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 71.21 111.109 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.52 -46.13 77.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 71.12 110.907 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 19.5 t -68.25 -37.94 78.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 74.24 111.136 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -62.23 -55.78 25.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 72.51 110.864 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -63.38 -47.47 87.28 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.726 -0.749 . . . . 61.22 112.52 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.8 m -58.14 -58.82 6.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.774 0.321 . . . . 64.25 111.185 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 17.8 mm -57.04 -30.26 33.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 45.23 111.118 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -56.58 -56.76 22.93 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.736 -0.745 . . . . 73.12 112.467 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 11.4 ptp -80.41 -24.0 39.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 70.34 110.888 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -70.99 -14.19 62.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 73.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.98 -9.54 59.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 71.32 110.911 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.525 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 2.7 tt0 -52.37 -58.41 11.76 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.541 0.686 . . . . 61.24 110.928 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 131' ' ' GLN . 54.1 Cg_endo -69.76 150.92 68.83 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.706 2.271 . . . . 72.14 112.351 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.4 HD21 ' HA ' ' A' ' 137' ' ' GLU . 2.3 pt? -66.86 -26.36 66.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 73.2 110.939 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -177.93 -177.59 0.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 74.32 110.873 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -67.13 -28.88 68.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 73.0 110.923 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -92.41 51.51 1.77 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 64.22 110.866 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.4 ' HA ' HD21 ' A' ' 133' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 72.33 110.896 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.849 0.357 . . . . 70.34 110.917 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -164.31 43.96 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 75.24 111.062 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -102.76 32.03 3.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 72.32 110.87 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -92.76 7.91 41.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 52.14 110.923 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.526 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 1.6 tt0 -54.51 -58.44 14.07 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.635 0.731 . . . . 71.33 110.88 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.7 Cg_endo -69.79 -28.98 24.44 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.676 2.251 . . . . 51.13 112.298 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.819 HD23 HD11 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -65.48 -16.31 63.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.261 -0.427 . . . . 62.13 110.929 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -61.23 -21.08 63.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 72.15 110.864 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -78.57 -60.89 2.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 72.33 110.951 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.2 t -53.67 -40.68 66.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.506 . . . . 51.2 111.14 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.819 HD11 HD23 ' A' ' 8' ' ' LEU . 84.0 mt -63.2 -41.27 92.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 64.04 111.12 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.413 ' HA ' HD12 ' A' ' 16' ' ' ILE . 14.0 t30 -70.71 -11.17 60.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 70.54 110.885 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.588 HD21 ' CD1' ' A' ' 52' ' ' PHE . 0.6 OUTLIER -89.01 -27.53 20.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 72.13 110.934 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.586 HD11 ' CG ' ' A' ' 128' ' ' MET . 40.2 mm -79.3 -30.67 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 74.44 111.11 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.54 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 2.4 mt -51.76 -57.43 14.74 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.653 0.74 . . . . 65.34 111.167 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.54 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.5 Cg_endo -69.79 -37.9 8.47 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.679 2.252 . . . . 75.14 112.329 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -52.6 -49.28 65.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 52.13 110.87 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 15' ' ' ILE . 49.2 t -67.09 -44.25 88.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 65.14 111.135 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -57.29 -41.26 79.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 62.45 110.926 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.716 HD11 ' HB1' ' A' ' 48' ' ' ALA . 11.5 mt -57.5 -46.89 85.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 52.31 111.141 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.48 HG23 ' CD1' ' A' ' 117' ' ' PHE . 30.0 m -63.91 -52.96 57.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 73.45 111.11 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.21 -36.18 60.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 73.24 110.878 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.85 -43.88 97.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 74.12 110.935 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.17 -32.82 73.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 74.24 111.069 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 63.4 mt -72.9 -40.91 60.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 71.41 111.124 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -66.07 -41.38 90.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 53.43 110.954 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.1 t -56.71 -54.73 25.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 64.52 111.139 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.592 ' CB ' HD11 ' A' ' 114' ' ' LEU . 0.9 OUTLIER -57.37 -28.65 63.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 74.32 110.892 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -81.18 -24.98 37.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 74.13 110.924 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 mp -119.9 68.68 12.6 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.62 0.724 . . . . 63.43 110.893 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 80.55 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.64 2.227 . . . . 63.51 112.36 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.59 -32.84 58.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 75.14 110.894 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -165.97 173.76 10.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 64.12 110.834 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 59.5 m -82.9 -22.49 33.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 74.34 110.853 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -78.42 -18.32 76.19 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.799 -0.715 . . . . 74.35 112.505 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -53.68 -39.86 65.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.961 0.41 . . . . 73.24 110.892 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -57.28 -42.67 82.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 74.24 110.899 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.16 -39.82 83.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 72.32 110.91 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.7 m -63.49 -37.22 86.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 55.53 111.198 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.1 tp -70.44 -34.31 72.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 70.32 110.903 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 51.8 t -59.06 -41.08 87.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 51.42 110.888 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.9 mt -71.72 -36.47 59.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 54.1 111.144 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.5 t -68.07 -54.5 17.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 70.35 110.874 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.659 HG23 HG23 ' A' ' 21' ' ' ILE . 0.7 OUTLIER -60.98 -22.97 28.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 74.41 111.111 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.04 -49.63 55.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 73.4 110.905 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.546 ' O ' HG23 ' A' ' 51' ' ' VAL . 4.5 mp -58.42 -34.2 70.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 75.22 110.895 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.716 ' HB1' HD11 ' A' ' 21' ' ' ILE . . . -58.94 -52.71 64.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 64.05 111.123 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.66 HD21 ' CG2' ' A' ' 77' ' ' THR . 0.2 OUTLIER -56.32 -34.76 66.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 72.2 110.919 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.1 -32.59 74.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 63.22 111.13 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 47' ' ' LEU . 36.9 t -64.62 -48.09 86.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 72.33 111.146 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.695 ' CE1' HD11 ' A' ' 56' ' ' ILE . 11.7 t80 -55.02 -45.28 75.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 73.12 110.873 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.37 -58.43 8.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 63.1 110.965 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.4 tp -53.22 -33.63 53.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 71.45 110.924 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.23 -59.44 4.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 73.35 110.921 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.785 HG23 ' HA ' ' A' ' 60' ' ' VAL . 4.0 mp -76.92 -24.38 15.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 63.34 111.143 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.4 p -52.08 -32.95 37.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 72.21 110.848 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -93.24 -49.81 5.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 63.25 110.927 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 29.7 mm -150.82 130.79 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 72.33 111.088 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.785 ' HA ' HG23 ' A' ' 56' ' ' ILE . 3.1 m -51.16 156.24 1.93 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.591 0.71 . . . . 52.14 111.178 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 167.75 23.51 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.671 2.247 . . . . 73.34 112.341 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -21.27 33.72 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.668 2.245 . . . . 65.3 112.364 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.7 m -85.04 55.42 3.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 73.41 111.157 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.5 m -61.05 -69.27 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 62.34 110.857 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 62.33 177.99 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 64.03 110.85 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -69.87 -43.01 72.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.108 -0.497 . . . . 73.43 110.888 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.77 160.57 30.99 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.656 0.741 . . . . 75.42 110.912 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 121.49 8.18 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.727 2.285 . . . . 74.25 112.309 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.7 t -96.13 -29.07 14.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.435 . . . . 63.15 110.851 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.9 m -59.7 -32.6 49.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 71.34 111.149 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -80.21 -39.43 15.84 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.775 -0.726 . . . . 64.24 112.468 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.45 -62.0 2.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.833 0.349 . . . . 74.4 110.894 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -56.26 -45.94 79.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 74.04 110.937 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 31.4 tp -58.5 -31.13 67.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 73.33 110.926 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 2.7 tpt -61.38 -52.41 64.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 73.32 110.908 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -67.54 -25.8 65.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 74.34 110.885 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.66 ' CG2' HD21 ' A' ' 49' ' ' LEU . 4.8 m -72.9 -32.8 65.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.111 -0.495 . . . . 42.15 111.135 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 7.9 mmt -71.83 -55.41 7.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 73.34 110.823 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 6.7 p -52.35 -35.43 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 65.4 111.165 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.9 mt -69.63 -53.13 20.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 65.03 110.906 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 77' ' ' THR . 97.0 t -54.77 -33.68 28.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 74.42 111.101 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 72.6 m -64.29 -44.29 92.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 72.41 111.165 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -62.74 -33.33 74.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 63.32 110.883 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.5 t -63.14 -45.3 92.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 62.31 110.851 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 26.3 mm -61.64 -38.22 79.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 73.44 111.151 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 69.0 t -61.28 -46.87 95.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 74.2 111.117 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 25.4 p -71.09 -30.98 67.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 33.5 111.139 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.3 t -59.37 -53.03 62.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 53.41 110.894 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 59.5 t -61.45 -36.29 72.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 72.14 111.1 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -53.42 -48.51 68.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 62.32 110.893 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 94.6 t -69.82 -27.05 31.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 73.14 111.148 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.2 tp -54.76 -61.64 2.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 75.13 110.913 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -178.7 134.4 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 72.43 110.874 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 13.5 p -118.01 141.64 36.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 74.03 111.186 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -158.76 146.68 18.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 64.43 110.827 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -134.53 123.5 24.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 60.31 110.859 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 24.4 mtm180 -88.47 102.92 15.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 75.33 110.883 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -167.05 160.59 11.0 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.614 0.721 . . . . 63.24 110.871 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -36.45 10.95 Favored 'Trans proline' 0 C--N 1.34 0.109 0 C-N-CA 122.717 2.278 . . . . 73.14 112.352 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -109.16 123.94 50.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 74.42 110.898 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 6.5 p -137.18 159.06 43.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 72.12 111.164 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 8.9 p80 -115.43 163.07 16.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 72.44 110.882 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.6 m -145.71 55.14 1.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 73.34 111.178 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 154.01 122.67 0.87 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.789 -0.719 . . . . 73.53 112.538 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 141.67 148.75 5.09 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.738 -0.744 . . . . 64.54 112.492 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 90.9 160.63 36.72 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.776 -0.726 . . . . 44.31 112.482 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 166.92 148.04 5.46 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 74.51 112.477 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 105.33 -12.73 48.0 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.716 -0.754 . . . . 65.43 112.47 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.17 -35.98 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.84 0.352 . . . . 74.52 111.162 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -74.58 -55.53 5.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 73.31 110.864 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.43 -30.23 39.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 73.22 110.883 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 18.4 mt -69.72 -42.13 74.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.147 -0.479 . . . . 64.45 110.932 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -75.01 -23.74 58.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 71.53 110.906 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.592 HD11 ' CB ' ' A' ' 29' ' ' PHE . 0.5 OUTLIER -78.8 -43.28 25.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.099 -0.5 . . . . 74.23 110.883 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -60.2 -50.87 71.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.24 -0.436 . . . . 74.33 110.963 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 2.4 pp -63.5 -31.45 52.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 73.4 111.124 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.48 ' CD1' HG23 ' A' ' 22' ' ' THR . 0.1 OUTLIER -53.57 -51.13 63.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 72.51 110.878 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 24.3 t -66.6 -36.6 77.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 53.01 111.108 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -54.86 -56.76 15.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 71.44 110.849 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.6 p -65.7 -30.15 49.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 75.35 111.111 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 2.0 t -66.42 -44.84 81.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 53.44 110.882 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 9.3 t -65.11 -38.42 82.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 62.25 111.126 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -65.61 -44.75 85.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 71.21 110.841 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -73.56 -48.59 17.34 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.752 -0.737 . . . . 65.13 112.477 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.442 ' OG1' HG22 ' A' ' 19' ' ' VAL . 10.0 m -53.01 -55.44 23.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.77 0.319 . . . . 74.43 111.117 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 38.0 mm -71.69 -22.59 21.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 71.31 111.136 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -58.55 -40.63 94.78 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.704 -0.76 . . . . 74.33 112.483 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . 0.586 ' CG ' HD11 ' A' ' 15' ' ' ILE . 5.2 mmt -84.86 -30.92 24.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.765 0.317 . . . . 63.45 110.866 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -76.01 -14.22 60.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 52.33 110.896 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 1.9 tt -84.51 -10.18 57.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.497 . . . . 43.43 110.919 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.515 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 1.5 tt0 -53.51 -58.53 12.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.632 0.729 . . . . 64.15 110.878 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 131' ' ' GLN . 53.6 Cg_endo -69.72 150.89 69.06 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.715 2.277 . . . . 75.11 112.354 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -66.85 -26.32 66.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 73.34 110.927 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -169.04 -176.87 2.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 71.13 110.853 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -65.12 -30.06 70.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 54.35 110.879 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 58.45 82.18 0.14 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 74.41 110.902 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 74.34 110.931 -179.955 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.812 0.339 . . . . 62.11 110.891 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.34 95.2 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 74.41 111.059 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -119.29 45.64 2.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 73.43 110.89 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -83.32 -12.63 56.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 73.33 110.854 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.52 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 5.1 tt0 -64.02 -58.43 14.56 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.645 0.736 . . . . 65.32 110.896 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.5 Cg_endo -69.71 -20.66 34.76 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.702 2.268 . . . . 64.22 112.335 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.482 HD11 ' CB ' ' A' ' 132' ' ' PRO . 0.5 OUTLIER -84.06 -15.44 47.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 51.33 110.929 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -77.17 -25.01 51.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 75.22 110.875 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.627 ' CE1' HD12 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -70.79 -54.19 12.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 64.41 110.933 -179.855 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.72 ' O ' HD12 ' A' ' 15' ' ' ILE . 5.2 t -57.49 -39.45 76.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 73.02 111.104 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 66.3 mt -63.22 -34.52 67.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 62.33 111.131 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -77.01 -15.65 59.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 72.44 110.925 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.627 HD12 ' CE1' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -88.93 -27.55 20.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 63.1 110.95 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.72 HD12 ' O ' ' A' ' 11' ' ' THR . 2.4 mt -79.44 -30.73 13.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 72.23 111.082 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.533 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 1.5 mm -51.69 -57.49 14.43 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.634 0.73 . . . . 65.24 111.156 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.6 Cg_endo -69.77 -38.21 8.09 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.684 2.256 . . . . 73.35 112.349 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.2 t -52.03 -58.65 5.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 70.3 110.9 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 15' ' ' ILE . 20.4 t -62.91 -47.51 92.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 73.21 111.115 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.9 mt -51.95 -42.23 62.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 72.43 110.92 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.746 HD11 ' HB1' ' A' ' 48' ' ' ALA . 6.1 mt -57.0 -48.32 81.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 72.4 111.149 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 75.3 m -62.9 -54.74 33.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 75.14 111.124 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.66 -46.56 67.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 72.01 110.877 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.3 mt -53.25 -37.4 62.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.496 . . . . 54.5 110.908 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.75 -33.87 64.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 73.0 111.109 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.457 HD11 HG22 ' A' ' 118' ' ' VAL . 86.9 mt -71.67 -50.87 36.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 74.41 111.132 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 67.1 mt -54.59 -41.74 70.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 62.13 110.907 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.795 HG21 ' HB2' ' A' ' 41' ' ' LEU . 5.0 t -57.6 -45.89 86.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 64.41 111.128 179.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -75.77 -23.94 55.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 74.2 110.889 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -81.23 -19.37 43.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 72.43 110.9 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.29 69.8 51.89 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.556 0.693 . . . . 74.34 110.928 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 83.69 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.669 2.246 . . . . 62.52 112.331 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -98.19 -176.48 3.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 60.32 110.879 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.29 35.36 3.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.125 -0.489 . . . . 62.15 110.846 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 m -105.31 -23.77 12.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.445 . . . . 64.42 110.914 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 105.97 34.62 3.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 61.34 112.469 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.422 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.3 OUTLIER -59.97 -25.36 65.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.952 0.406 . . . . 75.04 110.912 -179.861 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -63.4 -58.41 7.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 73.33 110.878 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.5 mmt -61.01 -36.2 78.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 74.43 110.895 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 56.0 m -63.02 -34.1 76.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 73.44 111.117 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.795 ' HB2' HG21 ' A' ' 28' ' ' VAL . 9.9 tp -65.39 -45.48 83.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.262 -0.426 . . . . 62.11 110.947 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.7 t -54.05 -42.28 69.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 73.33 110.885 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 85.2 mt -76.26 -31.32 20.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 74.35 111.094 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.0 t -64.92 -58.48 6.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 63.33 110.891 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.726 HG22 HG23 ' A' ' 21' ' ' ILE . 5.1 t -54.39 -47.39 69.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 75.1 111.109 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.38 -47.08 79.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 71.14 110.955 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.406 ' O ' HG23 ' A' ' 51' ' ' VAL . 12.6 tp -54.5 -39.93 68.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 63.21 110.944 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.746 ' HB1' HD11 ' A' ' 21' ' ' ILE . . . -56.52 -46.47 80.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 61.22 111.09 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.2 tt -54.55 -45.1 73.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 74.23 110.903 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.9 -35.9 71.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 73.41 111.104 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 47' ' ' LEU . 35.7 t -59.37 -45.68 93.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 63.32 111.159 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.687 ' O ' HD12 ' A' ' 56' ' ' ILE . 15.6 m-85 -56.69 -44.14 81.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 70.34 110.892 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.9 tt -51.86 -59.09 4.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 60.44 110.913 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.03 -34.47 65.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 61.15 110.912 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.65 -64.73 0.72 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 64.34 110.932 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.687 HD12 ' O ' ' A' ' 52' ' ' PHE . 3.1 mp -72.78 -25.73 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 71.43 111.106 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 33.4 t -51.86 -30.58 24.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 75.23 110.875 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.521 ' CG ' HD12 ' A' ' 59' ' ' ILE . 0.3 OUTLIER -92.84 -50.07 5.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 74.35 110.906 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.521 HD12 ' CG ' ' A' ' 58' ' ' LYS . 3.3 mp -150.21 133.69 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 65.11 111.143 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.549 ' HA ' HG23 ' A' ' 56' ' ' ILE . 0.9 OUTLIER -88.97 154.93 49.99 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.581 0.705 . . . . 60.22 111.193 179.834 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 167.76 23.59 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.652 2.234 . . . . 64.23 112.308 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -40.78 4.91 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.635 2.223 . . . . 74.13 112.361 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.9 p 51.77 32.63 9.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 71.22 111.134 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.2 t -55.75 -25.97 43.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 64.04 110.847 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.61 171.59 0.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 55.14 110.833 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -59.28 -63.3 1.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 70.0 110.832 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.21 160.59 57.0 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.644 0.735 . . . . 74.23 110.893 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -175.44 1.17 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.673 2.249 . . . . 75.43 112.294 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.28 -60.91 0.89 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 71.23 110.861 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 30.7 m -55.6 -34.52 35.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.109 -0.496 . . . . 53.12 111.141 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.05 -51.73 4.6 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.725 -0.75 . . . . 53.44 112.471 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.53 -44.82 65.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.902 0.382 . . . . 75.25 110.878 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -64.9 -43.07 94.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 71.45 110.9 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.31 -42.46 70.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.495 . . . . 73.25 110.868 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 2.2 ttp -61.35 -50.19 73.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 64.41 110.868 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -62.72 -34.13 76.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 64.15 110.914 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 9.6 m -72.13 -34.42 68.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 71.02 111.13 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -61.84 -48.23 81.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 73.32 110.893 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 4.8 p -69.79 -28.24 36.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 70.41 111.13 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.05 -43.37 58.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 62.11 110.9 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 25.1 t -65.4 -46.93 88.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 62.32 111.089 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 33.6 m -52.74 -52.18 57.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 64.01 111.134 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -68.79 -30.04 68.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 75.24 110.881 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.3 m -62.19 -53.51 54.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 73.33 110.85 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 17.4 mm -54.28 -49.31 64.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 72.31 111.101 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 11.3 t -51.82 -58.25 2.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 64.45 111.168 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.89 -29.7 65.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 74.33 111.154 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.47 -60.23 2.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 62.21 110.869 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.72 -32.44 51.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 71.22 111.115 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 2.3 m -59.39 -41.31 89.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 60.12 110.864 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.9 t -74.93 -33.19 29.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 65.43 111.155 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.89 -66.73 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 74.21 110.946 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -158.27 159.83 36.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 52.21 110.883 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.2 p -171.56 141.07 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 74.22 111.117 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -148.78 107.81 3.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 65.24 110.889 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -105.98 131.77 52.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 71.11 110.869 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.13 151.42 24.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 74.32 110.876 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -161.08 160.54 24.56 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.675 0.75 . . . . 60.42 110.848 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 -39.37 6.71 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.693 2.262 . . . . 73.31 112.35 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.93 137.38 46.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 70.4 110.914 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 20.8 p -69.56 99.41 1.27 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 74.41 111.157 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -90.48 178.71 6.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 74.2 110.856 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 13.3 p -54.55 165.49 0.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 73.11 111.108 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 166.36 121.39 0.56 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 71.32 112.478 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -90.03 -111.28 1.41 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.698 -0.763 . . . . 72.33 112.458 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.07 22.5 7.89 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.746 -0.74 . . . . 54.35 112.511 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -109.34 132.47 11.09 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.748 -0.739 . . . . 70.22 112.459 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 84.18 11.67 77.96 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.724 -0.75 . . . . 43.44 112.462 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.17 -36.0 16.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.822 0.344 . . . . 74.4 111.101 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.615 ' C ' HD12 ' A' ' 114' ' ' LEU . 95.9 m-20 -66.12 -59.25 3.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 60.22 110.858 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -55.18 -27.19 43.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 74.34 110.897 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.0 mt -67.34 -57.33 6.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 72.35 110.936 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.0 -24.56 63.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 74.34 110.884 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.615 HD12 ' C ' ' A' ' 110' ' ' ASP . 0.3 OUTLIER -68.26 -43.29 78.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 74.41 110.948 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 21.6 t90 -80.16 -42.46 23.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 71.13 110.92 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 1.1 tt -56.26 -24.73 18.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 62.22 111.178 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.11 -57.73 3.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 63.24 110.921 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.67 ' O ' HG23 ' A' ' 122' ' ' VAL . 97.9 t -51.78 -29.92 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 71.42 111.112 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -70.85 -57.06 4.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 72.02 110.86 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 10.3 p -63.24 -24.39 35.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 55.52 111.073 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.64 -38.14 67.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 72.43 110.881 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 118' ' ' VAL . 74.8 t -63.84 -43.71 97.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 63.13 111.115 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -66.58 -45.42 79.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 72.15 110.907 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -66.93 -53.92 24.36 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.688 -0.767 . . . . 35.53 112.513 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 53.2 m -53.96 -52.84 59.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.788 0.328 . . . . 70.31 111.176 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 26.3 mt -57.07 -36.55 51.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 75.21 111.159 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -57.53 -37.05 80.6 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.755 -0.736 . . . . 53.25 112.471 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . 0.532 ' HB3' HD11 ' A' ' 15' ' ' ILE . 27.6 mmt -67.02 -46.74 73.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.813 0.339 . . . . 74.41 110.892 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -73.5 -14.02 61.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 74.42 110.868 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.5 tt -80.02 -16.55 54.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 74.02 110.904 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.528 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 1.8 tt0 -60.79 -58.45 19.23 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.631 0.729 . . . . 74.14 110.951 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 131' ' ' GLN . 53.3 Cg_endo -69.78 150.96 68.8 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.687 2.258 . . . . 60.42 112.342 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -66.89 -26.37 66.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.211 -0.45 . . . . 72.34 110.909 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -170.11 178.28 3.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 74.4 110.899 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -30.89 71.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 61.44 110.886 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 56.53 73.49 0.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 61.41 110.857 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 75.24 110.893 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.782 0.325 . . . . 35.14 110.926 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.49 151.02 38.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 73.44 111.118 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -117.5 49.62 1.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 72.31 110.905 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -118.32 107.8 14.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 70.41 110.884 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.506 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 6.1 tt0 178.55 -59.24 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.656 0.741 . . . . 61.33 110.884 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 54.3 Cg_endo -69.76 -21.24 33.76 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.698 2.266 . . . . 71.43 112.359 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.454 HD23 ' CG1' ' A' ' 12' ' ' ILE . 0.3 OUTLIER -75.28 -16.16 60.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 65.32 110.873 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -61.91 -24.26 66.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 72.15 110.869 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -74.95 -59.74 2.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 75.43 110.871 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.705 ' O ' HD12 ' A' ' 15' ' ' ILE . 4.2 t -54.23 -38.41 65.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.505 . . . . 63.01 111.127 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.46 HD11 ' HG3' ' A' ' 132' ' ' PRO . 6.8 mm -59.54 -47.83 89.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 71.3 111.098 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -67.1 -13.68 62.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 72.43 110.9 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.439 HD11 HD11 ' A' ' 56' ' ' ILE . 0.5 OUTLIER -89.0 -24.38 22.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 72.3 110.918 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.705 HD12 ' O ' ' A' ' 11' ' ' THR . 1.4 mp -78.78 -32.37 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 74.1 111.12 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.541 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 2.0 mm -51.78 -57.44 14.71 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.655 0.74 . . . . 74.22 111.154 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.7 Cg_endo -69.77 -34.49 14.45 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.721 2.281 . . . . 72.44 112.321 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -52.39 -55.4 21.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 72.34 110.877 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.814 HG22 HG21 ' A' ' 125' ' ' THR . 9.1 t -71.47 -28.14 30.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 62.31 111.121 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.0 tt -65.84 -45.55 81.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 72.4 110.916 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.61 ' CG2' HG22 ' A' ' 45' ' ' VAL . 7.3 mt -65.27 -42.42 93.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 63.21 111.17 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -59.14 -49.13 79.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.126 -0.488 . . . . 74.42 111.156 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.504 ' HA ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -52.49 -45.59 66.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 54.25 110.856 -179.838 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.726 HD22 HD21 ' A' ' 41' ' ' LEU . 0.1 OUTLIER -56.03 -48.91 75.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 43.25 110.897 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.96 -27.01 69.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 70.41 111.061 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.504 HD12 ' HA ' ' A' ' 23' ' ' SER . 48.9 mt -78.97 -46.24 23.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 53.12 111.138 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.09 -41.39 92.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 74.54 110.907 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 43.3 t -64.75 -40.69 89.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 65.23 111.138 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.59 -35.44 74.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 74.52 110.888 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.495 ' C ' HD12 ' A' ' 31' ' ' LEU . 7.2 m-85 -81.9 -26.6 33.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 72.31 110.955 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.495 HD12 ' C ' ' A' ' 30' ' ' TYR . 6.9 mp -133.96 71.13 74.16 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.561 0.696 . . . . 73.44 110.885 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 175.5 7.99 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.685 2.257 . . . . 73.15 112.337 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.52 165.32 27.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 55.44 110.891 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -81.65 -13.26 58.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 70.33 110.894 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -79.55 -6.42 56.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 70.23 110.886 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 75.26 41.68 30.52 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.744 . . . . 64.13 112.509 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -61.27 -31.68 71.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.886 0.374 . . . . 74.12 110.839 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.8 tptt -68.89 -33.83 74.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 75.04 110.893 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.1 mtp -63.35 -58.67 6.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 73.11 110.909 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 5.5 t -57.31 -27.11 61.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 65.11 111.118 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.726 HD21 HD22 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -68.47 -49.87 56.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 64.34 110.922 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.0 t -52.71 -43.21 65.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 75.44 110.903 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 59.9 mt -64.44 -37.63 80.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 64.43 111.114 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.9 m -70.44 -49.63 46.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 73.23 110.855 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.61 HG22 ' CG2' ' A' ' 21' ' ' ILE . 3.5 t -52.21 -40.28 30.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 71.13 111.13 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.23 -45.9 86.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 74.14 110.86 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.513 ' O ' HG23 ' A' ' 51' ' ' VAL . 3.8 tt -61.67 -47.88 83.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 73.12 110.912 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.52 -44.69 72.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 70.21 111.051 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.67 -40.48 92.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 75.23 110.96 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 46.1 m -65.78 -38.37 88.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 74.15 111.13 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 47' ' ' LEU . 64.3 t -59.15 -53.94 41.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.425 . . . . 71.24 111.114 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -65.82 -39.03 90.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 74.45 110.864 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.0 tt -57.65 -37.94 74.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 74.54 110.896 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.6 mp -70.31 -39.38 74.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 64.12 110.923 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.16 -61.57 2.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 75.32 110.875 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.439 HD11 HD11 ' A' ' 14' ' ' LEU . 1.4 mp -54.92 -32.41 26.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 74.44 111.122 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.03 -43.15 99.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 73.32 110.903 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.25 -21.52 58.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 71.42 110.936 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.804 HG22 ' HD3' ' A' ' 61' ' ' PRO . 19.9 mt 65.93 110.86 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 63.42 111.151 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.5 m -125.36 73.72 67.72 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.627 0.727 . . . . 73.13 111.163 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.804 ' HD3' HG22 ' A' ' 59' ' ' ILE . 53.9 Cg_endo -69.73 167.78 23.41 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.665 2.243 . . . . 54.42 112.362 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -37.11 9.58 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.664 2.243 . . . . 71.34 112.296 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -170.39 -38.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 70.12 111.161 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 74.8 m -146.02 122.27 10.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 70.14 110.851 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.6 t -104.3 166.79 10.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 72.32 110.881 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -171.58 -41.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.141 -0.481 . . . . 74.14 110.867 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.4 m -138.16 71.15 47.83 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.723 0.773 . . . . 42.53 110.885 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 138.17 37.17 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.672 2.248 . . . . 71.52 112.353 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.73 -10.75 13.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 73.11 110.848 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 34.8 m -60.19 -25.45 33.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 72.35 111.132 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -72.3 -33.88 61.35 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.719 -0.753 . . . . 50.4 112.484 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -63.18 -57.04 11.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 74.33 110.903 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -53.48 -40.86 65.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 73.12 110.919 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.37 -37.77 88.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 61.32 110.883 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 2.1 ttt -59.95 -56.25 24.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 63.03 110.895 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -65.14 -29.09 69.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 44.31 110.904 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 16.4 m -68.83 -48.81 62.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.162 -0.472 . . . . 72.14 111.14 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.8 mmt -57.09 -35.04 68.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 74.21 110.891 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 30.9 t -65.72 -59.72 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 63.3 111.146 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.6 tp -56.89 -45.85 82.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 74.42 110.928 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.7 t -57.13 -47.32 84.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 61.4 111.138 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.8 m -51.93 -42.17 62.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 63.23 111.165 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.98 -50.39 70.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 65.0 110.879 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 82.4 p -64.38 -46.01 85.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 70.32 110.849 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 17.6 mm -58.38 -43.15 85.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 65.32 111.133 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 10.4 t -53.33 -60.94 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 63.3 111.13 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.5 ' O ' HG23 ' A' ' 91' ' ' VAL . 0.5 OUTLIER -57.83 -23.83 54.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 74.24 111.171 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.42 -51.58 59.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 62.23 110.883 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 38.9 t -68.57 -36.83 76.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 74.13 111.125 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 32.6 t -56.1 -33.15 64.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 72.55 110.92 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 87' ' ' THR . 76.0 t -76.79 -37.77 28.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 73.33 111.161 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.29 -17.88 59.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 62.34 110.911 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -91.43 153.58 19.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.427 . . . . 65.21 110.873 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.6 p -137.14 152.06 27.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 73.52 111.119 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -168.47 164.29 12.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 71.21 110.85 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 60.01 25.67 14.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 75.2 110.893 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.02 175.37 0.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 72.45 110.917 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -142.33 160.6 53.98 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.686 0.755 . . . . 73.44 110.863 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 -37.77 8.57 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.635 2.224 . . . . 73.42 112.324 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -172.63 167.45 5.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 72.15 110.901 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -93.87 -11.01 32.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 75.13 111.128 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -135.22 108.55 7.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 65.43 110.882 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.17 122.92 23.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 53.04 111.154 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -72.49 125.92 10.78 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.753 -0.737 . . . . 74.44 112.482 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 93.32 -174.76 35.54 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.756 -0.735 . . . . 74.42 112.502 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -136.2 172.54 22.35 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.739 -0.743 . . . . 70.33 112.474 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -72.16 -52.36 11.37 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.756 -0.735 . . . . 52.43 112.456 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 137.22 -37.1 1.89 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.724 -0.751 . . . . 62.22 112.463 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.18 -36.03 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.791 0.329 . . . . 52.22 111.07 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -70.46 -51.96 25.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 74.15 110.879 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -53.72 -38.69 64.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 75.04 110.883 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.0 tp -64.1 -50.64 67.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 74.33 110.874 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -62.93 -37.11 85.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 74.2 110.887 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.0 -46.5 65.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 72.02 110.902 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 24.2 t90 -55.99 -51.92 66.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 74.32 110.923 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 27.9 pt -64.78 -29.47 47.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 72.02 111.126 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -65.58 -35.42 80.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 62.54 110.885 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.632 ' O ' HG23 ' A' ' 122' ' ' VAL . 98.0 t -72.93 -34.47 46.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 72.44 111.153 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.88 -61.85 2.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 73.23 110.835 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 11.2 p -57.29 -29.74 33.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 41.24 111.115 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 1.8 m -73.46 -28.81 62.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 75.24 110.915 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 118' ' ' VAL . 25.7 t -70.41 -61.59 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 73.41 111.14 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -60.76 -27.73 68.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 72.53 110.883 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -68.98 -58.79 6.42 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.725 -0.75 . . . . 74.43 112.444 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.814 HG21 HG22 ' A' ' 19' ' ' VAL . 33.0 p -68.14 -54.09 20.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.761 0.315 . . . . 73.01 111.167 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 33.4 mm -59.64 -32.61 49.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 62.44 111.152 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -57.85 -55.36 30.99 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.75 . . . . 53.31 112.524 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 18.2 ptp -79.38 -22.09 44.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.827 0.346 . . . . 75.44 110.877 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -79.76 -13.99 59.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 72.31 110.885 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -88.78 -8.26 54.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 73.13 110.904 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.528 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 2.0 tt0 -59.22 -58.45 19.39 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.563 0.697 . . . . 75.24 110.904 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 131' ' ' GLN . 54.0 Cg_endo -69.74 150.96 69.02 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.674 2.249 . . . . 74.25 112.36 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -66.94 -26.29 66.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 75.45 110.923 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -167.23 175.96 7.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 65.42 110.848 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.53 -28.26 44.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 64.23 110.938 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 55.47 57.97 4.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 74.53 110.864 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 72.52 110.844 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.5 t30 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.844 0.354 . . . . 71.51 110.883 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.85 179.89 5.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 72.04 111.093 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -102.9 5.21 38.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 54.55 110.867 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -98.06 -13.36 21.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 64.41 110.911 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.54 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 5.1 tp10 -60.71 -58.16 21.31 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.667 0.746 . . . . 64.01 110.905 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.54 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 54.0 Cg_endo -69.71 -22.57 32.12 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.679 2.253 . . . . 53.31 112.331 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.46 HD23 ' CG1' ' A' ' 12' ' ' ILE . 0.7 OUTLIER -66.81 -15.17 63.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 73.44 110.89 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -63.65 -26.05 68.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 73.34 110.929 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -75.99 -59.07 2.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 65.44 110.93 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.1 t -52.92 -41.24 64.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 62.43 111.133 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.46 ' CG1' HD23 ' A' ' 8' ' ' LEU . 8.2 mm -61.49 -43.87 97.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 64.23 111.165 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -67.75 -13.25 61.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 70.44 110.921 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.02 -24.65 22.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 60.53 110.896 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.5 mm -78.64 -32.51 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 55.34 111.12 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.538 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 1.8 mm -51.77 -57.51 14.45 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.645 0.735 . . . . 63.44 111.132 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.7 Cg_endo -69.76 -34.0 15.47 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.669 2.246 . . . . 72.54 112.332 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.5 t -52.06 -56.23 15.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.279 -0.419 . . . . 74.15 110.908 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.7 m -70.45 -31.87 48.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 61.25 111.126 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.5 tp -62.26 -45.29 93.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 72.21 110.887 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.736 ' CG2' HG22 ' A' ' 45' ' ' VAL . 11.1 mt -64.0 -39.17 84.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 73.41 111.11 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.0 m -55.97 -52.15 65.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 72.52 111.15 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.07 -42.59 69.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 64.03 110.824 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 mp -59.61 -45.35 92.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 72.01 110.915 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.9 -38.55 91.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 64.51 111.118 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.719 HD11 HG22 ' A' ' 118' ' ' VAL . 96.7 mt -62.24 -41.88 93.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 74.31 111.157 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.57 -30.64 70.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 74.21 110.911 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 18.9 t -67.47 -37.21 78.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 75.51 111.116 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -72.27 -26.91 62.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 72.53 110.896 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.47 ' HB3' HD12 ' A' ' 31' ' ' LEU . 0.8 OUTLIER -80.16 -29.45 38.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 75.42 110.927 -179.844 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.47 HD12 ' HB3' ' A' ' 30' ' ' TYR . 3.6 mp -137.54 73.44 48.72 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.636 0.731 . . . . 54.33 110.915 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 162.73 40.93 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.732 2.288 . . . . 74.52 112.328 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.17 162.2 35.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 63.23 110.844 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -95.42 12.26 29.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 74.13 110.864 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 56.9 m -91.61 13.25 18.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 75.11 110.894 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.35 28.71 59.4 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.742 . . . . 73.51 112.539 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -56.88 -35.72 69.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.888 0.375 . . . . 70.3 110.854 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -61.42 -55.94 25.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 74.4 110.903 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 5.6 mtt -56.37 -42.89 78.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 53.12 110.885 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.9 m -64.27 -53.83 42.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.279 -0.419 . . . . 52.54 111.126 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.488 ' CD1' HG23 ' A' ' 45' ' ' VAL . 0.1 OUTLIER -57.52 -42.93 83.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 71.32 110.907 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 39.0 t -52.41 -46.2 66.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 70.21 110.883 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.6 mt -70.18 -39.63 77.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 71.33 111.163 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.3 -50.77 72.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 73.14 110.855 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.736 HG22 ' CG2' ' A' ' 21' ' ' ILE . 9.4 t -53.86 -46.02 63.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 64.12 111.133 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 49.3 tp -71.83 -24.44 61.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 61.55 110.92 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.645 ' O ' HG23 ' A' ' 51' ' ' VAL . 0.3 OUTLIER -59.6 -49.39 77.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 64.41 110.885 179.907 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.33 -54.91 14.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 74.14 111.131 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -53.5 -32.81 51.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 72.31 110.914 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.1 m -71.09 -36.8 72.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.184 -0.462 . . . . 72.4 111.191 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 47' ' ' LEU . 70.0 t -56.4 -56.31 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 62.31 111.162 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.604 ' O ' HD12 ' A' ' 56' ' ' ILE . 5.3 m-85 -68.38 -47.51 67.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 71.45 110.852 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.27 -53.92 37.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 73.02 110.912 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 28.0 tp -55.76 -34.79 65.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 73.14 110.912 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.23 -56.82 12.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 75.11 110.861 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.801 HG23 ' HA ' ' A' ' 60' ' ' VAL . 3.1 mp -79.19 -22.56 12.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 74.23 111.126 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.8 t -52.83 -34.63 54.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 74.02 110.862 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -94.86 -50.07 5.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.084 -0.507 . . . . 73.11 110.881 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 27.5 mm -149.78 133.1 7.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 70.24 111.104 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.801 ' HA ' HG23 ' A' ' 56' ' ' ILE . 3.1 m -51.16 156.28 1.92 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.587 0.708 . . . . 75.52 111.12 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.457 ' HD2' HG11 ' A' ' 70' ' ' VAL . 54.0 Cg_endo -69.75 167.74 23.54 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.648 2.232 . . . . 75.25 112.363 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -8.9 24.77 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.71 2.273 . . . . 63.11 112.327 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 77.2 p -53.71 -50.87 64.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 70.42 111.144 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.0 t -172.02 147.51 2.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 71.31 110.851 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -117.43 -12.99 10.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 74.12 110.869 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -70.6 -59.35 2.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 74.12 110.868 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.2 t -152.18 69.68 7.55 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.659 0.742 . . . . 72.02 110.831 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.504 ' HB2' HG13 ' A' ' 70' ' ' VAL . 53.6 Cg_endo -69.82 166.65 26.95 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.679 2.253 . . . . 62.13 112.322 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 63.0 m -103.12 14.69 31.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 63.14 110.866 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.504 HG13 ' HB2' ' A' ' 68' ' ' PRO . 13.2 m -58.79 -28.0 36.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 71.14 111.147 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -77.74 -33.77 41.22 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.812 -0.708 . . . . 53.24 112.478 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -69.59 -54.76 12.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.839 0.352 . . . . 60.35 110.876 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -62.47 -29.64 70.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 75.32 110.91 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.4 tp -72.93 -36.81 67.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 62.23 110.928 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.84 -58.35 8.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 75.41 110.882 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -64.89 -33.83 76.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 71.13 110.843 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.9 m -55.11 -58.05 9.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 72.54 111.143 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.5 mmt -54.95 -38.71 68.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 61.24 110.879 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 3.7 t -60.74 -43.06 94.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 72.13 111.092 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.1 tp -72.4 -34.35 67.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 73.23 110.887 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.6 t -67.81 -49.08 72.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 73.41 111.155 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 99.0 m -53.41 -44.03 68.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 72.31 111.129 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -57.62 -45.55 85.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 71.42 110.855 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 71.0 m -56.43 -47.11 79.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 65.11 110.86 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 35.8 mm -57.47 -45.48 85.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 74.33 111.11 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 97.3 t -61.39 -26.55 39.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 65.13 111.09 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -79.46 -53.18 7.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 73.32 111.157 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 97.5 p -61.98 -38.55 88.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 65.55 110.866 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 24.7 t -63.83 -44.1 98.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 73.32 111.121 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 2.0 t -58.49 -37.38 75.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 44.35 110.907 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 80.3 t -61.26 -50.82 78.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 71.42 111.108 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.22 -64.39 0.97 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 74.51 110.908 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -120.07 123.27 43.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 63.3 110.914 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.6 p -124.11 156.2 31.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 52.41 111.14 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 -142.23 77.01 1.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 74.23 110.89 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -127.29 37.16 4.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 74.12 110.852 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.6 ppt_? -90.24 151.32 21.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 65.23 110.866 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.2 m -142.93 160.58 52.46 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.672 0.748 . . . . 71.42 110.813 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -32.08 19.11 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.651 2.234 . . . . 64.23 112.338 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -139.84 145.99 38.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 75.45 110.916 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 1.4 t -174.92 86.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 74.05 111.17 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 27.2 m170 -52.07 -31.98 32.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 74.42 110.871 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.49 137.06 37.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 73.23 111.128 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -88.01 -15.57 60.82 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 73.33 112.504 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.98 -176.39 49.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.762 -0.733 . . . . 73.44 112.469 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -166.31 -118.37 0.44 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 54.01 112.492 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -142.52 -164.52 10.16 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.718 -0.753 . . . . 65.12 112.499 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 103.14 -31.83 8.29 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.798 -0.715 . . . . 45.31 112.526 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.26 -35.91 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.793 0.33 . . . . 64.44 111.156 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -62.7 -45.72 91.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 73.01 110.874 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.89 -41.9 75.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 73.05 110.878 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.33 -50.35 73.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 60.03 110.921 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.4 -31.81 66.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 75.1 110.886 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.42 ' CD2' HG23 ' A' ' 26' ' ' ILE . 0.2 OUTLIER -75.54 -47.7 25.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 74.31 110.938 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 22.2 t-105 -53.14 -43.13 66.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 73.02 110.916 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 30.0 pt -74.28 -24.19 18.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 72.31 111.113 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -73.06 -47.76 41.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 62.43 110.882 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.719 HG22 HD11 ' A' ' 26' ' ' ILE . 16.6 t -68.55 -26.06 32.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 64.24 111.113 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -64.65 -58.52 6.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 63.45 110.929 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.3 p -61.49 -24.64 34.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 71.15 111.158 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -77.83 -57.78 3.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 74.31 110.863 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 47.2 t -62.6 -43.4 98.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 52.43 111.121 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -66.6 -38.44 87.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 71.4 110.884 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -71.55 -57.48 5.98 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.762 -0.732 . . . . 64.44 112.438 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 38.4 p -56.74 -63.91 1.05 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.835 0.35 . . . . 73.15 111.14 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 28.8 mm -53.93 -29.53 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 53.22 111.111 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -53.53 -55.37 25.32 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 73.45 112.462 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 11.4 ptp -83.3 -22.75 32.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.838 0.351 . . . . 72.14 110.884 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -74.11 -15.42 61.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 50.02 110.937 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 1.1 tt -83.24 -1.5 53.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 61.23 110.909 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.522 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 2.4 tt0 -65.72 -58.5 11.34 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.612 0.72 . . . . 71.41 110.918 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 131' ' ' GLN . 53.3 Cg_endo -69.84 150.97 68.46 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.657 2.238 . . . . 61.53 112.306 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -66.89 -26.29 66.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 74.44 110.954 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -171.3 -178.03 2.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 75.3 110.914 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -65.05 -29.33 70.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 62.43 110.904 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 59.84 78.06 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 72.32 110.867 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 54.11 110.932 -179.961 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 18.9 m120 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.843 0.354 . . . . 61.21 110.922 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -99.3 97.64 8.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 50.53 111.113 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -121.06 45.34 2.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 71.12 110.874 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.66 109.88 14.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 64.45 110.894 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.512 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 2.4 tt0 178.52 -59.19 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.65 0.738 . . . . 64.51 110.903 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 54.1 Cg_endo -69.77 -25.55 28.45 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.706 2.271 . . . . 72.01 112.339 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.452 HD21 ' HB3' ' A' ' 132' ' ' PRO . 0.4 OUTLIER -67.33 -15.54 63.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 54.55 110.934 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -62.86 -20.2 64.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 73.34 110.881 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -73.78 -60.99 2.0 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.179 -0.464 . . . . 70.41 110.893 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.3 t -52.98 -37.01 60.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 72.25 111.14 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.427 ' CD1' HD23 ' A' ' 8' ' ' LEU . 27.2 mt -64.73 -42.18 94.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 75.44 111.128 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.18 -11.75 61.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 61.44 110.933 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.91 -27.15 21.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 63.01 110.914 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.6 mm -79.25 -30.69 14.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 73.53 111.102 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.537 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 0.9 OUTLIER -51.74 -57.49 14.5 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.648 0.737 . . . . 72.2 111.168 179.847 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.6 Cg_endo -69.79 -37.8 8.62 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.677 2.252 . . . . 71.52 112.352 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.0 t -52.22 -53.54 42.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 73.24 110.887 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.1 m -75.26 -25.06 17.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 74.04 111.106 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.1 tp -66.03 -56.38 11.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 52.51 110.946 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.768 HG21 HG23 ' A' ' 45' ' ' VAL . 34.9 mt -58.05 -42.77 83.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 63.1 111.095 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.507 HG23 ' CZ ' ' A' ' 117' ' ' PHE . 26.0 m -52.46 -49.94 63.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 70.44 111.14 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.98 -39.29 71.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 74.24 110.91 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.55 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -59.27 -44.8 92.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 63.41 110.908 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.05 -27.45 68.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 61.44 111.103 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 94.7 mt -77.57 -36.44 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 73.11 111.134 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.2 mp -74.74 -32.63 62.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.201 -0.454 . . . . 64.43 110.914 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 24' ' ' LEU . 53.1 t -64.06 -55.31 22.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 70.24 111.181 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -60.54 -30.13 69.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 64.33 110.831 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -76.92 -38.5 53.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 75.32 110.955 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -116.0 71.02 4.0 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.606 0.717 . . . . 44.32 110.91 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 111.28 2.77 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.678 2.252 . . . . 54.4 112.369 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.29 -18.37 18.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 73.04 110.851 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.9 t0 61.17 42.82 11.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 52.21 110.852 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -108.61 3.3 22.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 74.42 110.857 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 96.4 7.65 57.99 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.751 -0.738 . . . . 63.33 112.512 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -64.32 -27.7 69.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.905 0.383 . . . . 60.23 110.876 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.64 -53.22 60.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 72.34 110.914 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 14.8 mtm -62.65 -40.14 96.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 63.54 110.888 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 64.0 m -62.08 -38.92 90.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 64.24 111.107 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.448 ' O ' HG12 ' A' ' 45' ' ' VAL . 19.0 tp -61.1 -45.73 93.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 62.4 110.955 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 52.6 t -55.06 -41.74 71.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 51.12 110.863 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 82.4 mt -74.38 -26.5 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 73.53 111.131 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.1 m -75.63 -56.24 4.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 53.41 110.833 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.768 HG23 HG21 ' A' ' 21' ' ' ILE . 7.8 p -59.7 -28.57 40.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 72.43 111.156 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.81 -29.94 50.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 72.24 110.881 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.3 tp -70.14 -51.48 31.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 73.23 110.923 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.47 -46.74 83.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 72.52 111.107 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.483 HD11 HG21 ' A' ' 77' ' ' THR . 6.4 tp -63.14 -31.11 72.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 61.22 110.893 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 20.6 m -71.71 -34.11 69.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 74.52 111.153 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.3 t -60.79 -61.38 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 74.33 111.134 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.608 ' O ' HD12 ' A' ' 56' ' ' ILE . 5.8 m-85 -62.28 -37.79 86.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 75.11 110.95 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.2 tt -54.23 -58.82 5.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 75.14 110.908 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 17.8 mt -52.39 -33.96 45.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 62.2 110.918 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.09 -58.7 5.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 55.1 110.971 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.824 HG23 ' HA ' ' A' ' 60' ' ' VAL . 3.6 mp -78.56 -22.39 13.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 61.55 111.138 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.8 p -53.12 -33.43 52.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 64.2 110.876 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp -94.98 -50.11 5.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 73.21 110.91 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 56.2 mt -149.35 132.64 7.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 73.13 111.13 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.824 ' HA ' HG23 ' A' ' 56' ' ' ILE . 3.1 m -51.14 156.24 1.91 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.638 0.732 . . . . 44.11 111.125 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.607 ' HD2' HG11 ' A' ' 70' ' ' VAL . 53.8 Cg_endo -69.72 167.73 23.54 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.681 2.254 . . . . 73.35 112.348 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -8.99 25.02 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.724 2.283 . . . . 73.41 112.365 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.65 -22.52 22.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 73.24 111.11 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 28.8 t -55.26 125.58 21.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 64.11 110.853 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.3 p -178.24 114.9 0.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 61.12 110.837 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 58.81 91.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 53.34 110.84 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 m 60.14 72.26 0.77 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.665 0.745 . . . . 64.22 110.874 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.68 ' HB2' HG22 ' A' ' 70' ' ' VAL . 54.1 Cg_endo -69.73 148.99 66.48 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.7 2.267 . . . . 61.21 112.375 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.4 m -86.26 -8.28 57.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 74.41 110.834 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.68 HG22 ' HB2' ' A' ' 68' ' ' PRO . 36.0 m -54.25 -33.89 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 61.22 111.13 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -70.69 -60.38 4.66 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.728 -0.749 . . . . 42.01 112.495 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -54.3 -43.69 71.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.86 0.362 . . . . 71.23 110.851 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -52.25 -51.67 57.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 74.51 110.885 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.93 -33.19 75.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 74.12 110.903 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -60.46 3.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 51.44 110.923 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -65.13 -27.42 68.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 73.41 110.87 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.483 HG21 HD11 ' A' ' 49' ' ' LEU . 2.2 m -61.7 -52.49 64.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 73.4 111.115 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 10.3 mmt -60.38 -43.55 96.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 73.12 110.866 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 3.9 t -52.37 -53.53 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 75.44 111.125 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.444 HD11 HG21 ' A' ' 120' ' ' VAL . 1.1 mp -68.4 -43.55 77.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 62.15 110.888 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.5 t -53.05 -41.38 41.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 74.55 111.142 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 26.9 m -63.17 -44.6 95.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 65.51 111.14 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -62.22 -40.7 96.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 71.34 110.893 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.89 -55.13 36.68 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.121 -0.49 . . . . 73.53 110.851 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 19.7 mm -53.57 -38.39 33.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 63.34 111.095 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 15.1 t -58.53 -43.72 87.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 74.0 111.13 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.6 m -74.4 -23.04 58.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 72.12 111.133 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.8 t -65.7 -53.44 40.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 72.11 110.85 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 5.3 p -69.92 -24.15 26.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 71.41 111.14 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.79 -55.45 6.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 73.55 110.841 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -66.54 -19.21 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 45.53 111.137 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 60.1 tp -74.12 -56.0 5.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 75.42 110.931 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 22.9 t30 -172.26 125.74 0.53 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 63.43 110.891 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.3 p -159.93 149.09 6.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 73.44 111.119 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -165.93 -49.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 74.21 110.805 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -127.96 86.67 2.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 74.44 110.842 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.8 ttm-85 -145.78 24.39 1.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 72.3 110.903 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.16 160.55 36.95 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.702 0.763 . . . . 73.22 110.833 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -47.22 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.657 2.238 . . . . 62.51 112.34 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -101.7 143.32 31.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.43 . . . . 71.52 110.902 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 76.8 p -82.63 98.55 9.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 74.12 111.131 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -129.49 98.6 4.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 73.32 110.87 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -139.14 166.74 23.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 75.15 111.156 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 82.74 76.23 1.13 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.753 . . . . 72.03 112.46 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -93.98 -157.87 33.31 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.747 -0.74 . . . . 24.45 112.495 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -69.36 -168.46 5.97 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.807 -0.711 . . . . 74.41 112.491 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -108.15 -15.91 13.42 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.746 . . . . 70.55 112.466 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -101.46 15.76 57.15 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.739 . . . . 70.51 112.502 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.21 -35.97 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.842 0.353 . . . . 72.3 111.168 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -62.35 -57.05 12.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 63.44 110.886 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -23.77 67.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 73.22 110.855 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.91 -54.56 12.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.483 . . . . 72.24 110.922 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -61.32 -25.78 67.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 73.14 110.872 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.626 ' O ' HG23 ' A' ' 118' ' ' VAL . 1.3 mm? -75.57 -50.98 13.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 63.21 110.923 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 20.0 t90 -53.83 -48.26 70.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 72.33 110.919 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 31.8 pt -68.48 -26.56 33.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 71.54 111.173 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.507 ' CZ ' HG23 ' A' ' 22' ' ' THR . 11.8 t80 -76.33 -34.38 58.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 75.15 110.862 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 114' ' ' LEU . 46.5 t -76.02 -29.94 20.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 74.33 111.113 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.06 -45.21 70.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 60.2 110.869 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.444 HG21 HD11 ' A' ' 80' ' ' LEU . 7.7 p -67.54 -31.81 54.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 55.34 111.102 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -80.49 -20.93 42.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 63.23 110.883 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 118' ' ' VAL . 3.4 t -83.07 -55.25 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 72.12 111.088 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -59.81 -48.92 79.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 63.13 110.869 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -60.05 -52.82 50.49 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.753 -0.737 . . . . 51.5 112.51 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 21.2 m -55.17 -54.65 40.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.737 0.303 . . . . 63.03 111.148 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.457 HG22 HD12 ' A' ' 130' ' ' LEU . 40.9 mt -57.36 -33.27 43.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 54.43 111.144 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -54.68 -57.51 17.42 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.721 -0.752 . . . . 52.25 112.49 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 16.6 ptp -76.61 -21.63 55.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.841 0.353 . . . . 61.13 110.89 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -77.42 -15.25 59.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 72.44 110.91 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.457 HD12 HG22 ' A' ' 126' ' ' ILE . 0.4 OUTLIER -84.15 -3.89 58.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 72.14 110.94 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.523 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 3.0 tt0 -62.32 -58.5 17.01 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.557 0.694 . . . . 75.04 110.893 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 131' ' ' GLN . 54.6 Cg_endo -69.65 150.97 69.54 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.683 2.255 . . . . 71.34 112.39 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -66.98 -26.3 66.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 63.24 110.891 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -173.07 -179.21 1.95 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 75.14 110.89 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -63.4 -24.71 67.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 73.22 110.911 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 56.78 77.55 0.25 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 74.42 110.906 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 43.02 110.888 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.8 p30 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.868 0.366 . . . . 74.21 110.845 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -130.27 63.11 1.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 72.12 111.087 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -106.78 38.98 1.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 71.02 110.912 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 60.91 94.87 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 74.11 110.901 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.517 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 3.8 tt0 178.55 -59.17 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.625 0.726 . . . . 62.54 110.904 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.9 Cg_endo -69.78 -22.93 31.3 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.7 2.267 . . . . 74.44 112.32 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.506 HD13 ' O ' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -71.73 -38.89 70.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 71.51 110.897 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.12 -26.92 60.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 74.31 110.897 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -60.9 -60.97 2.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 71.24 110.923 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.727 ' O ' HD12 ' A' ' 15' ' ' ILE . 4.6 t -52.83 -39.78 62.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 70.51 111.17 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.3 mt -63.44 -41.37 92.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 62.24 111.159 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -69.6 -13.97 62.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 74.34 110.857 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -88.95 -24.95 22.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 74.32 110.88 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.727 HD12 ' O ' ' A' ' 11' ' ' THR . 1.4 mp -78.79 -32.13 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 62.14 111.139 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.535 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 2.6 mt -51.73 -57.52 14.36 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.62 0.724 . . . . 71.44 111.125 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.7 Cg_endo -69.78 -35.0 13.39 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.65 2.234 . . . . 72.43 112.353 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.7 t -53.2 -57.99 8.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 75.25 110.941 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.8 t -72.98 -43.14 59.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 74.14 111.123 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.2 tt -52.16 -56.41 14.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 51.43 110.91 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.41 HG12 HG13 ' A' ' 45' ' ' VAL . 8.3 mt -51.86 -50.77 31.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 72.41 111.119 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.534 HG23 ' CZ ' ' A' ' 117' ' ' PHE . 80.7 m -53.33 -55.26 26.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 75.12 111.175 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.1 -49.69 63.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 72.32 110.858 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.424 HD22 HD21 ' A' ' 41' ' ' LEU . 3.1 mt -54.84 -36.96 65.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 72.2 110.895 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.96 -25.94 60.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 63.15 111.117 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.428 ' HA ' HD11 ' A' ' 114' ' ' LEU . 94.1 mt -78.06 -53.92 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 75.4 111.113 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.2 mp -53.86 -47.46 70.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 63.44 110.915 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.629 HG21 ' HG ' ' A' ' 41' ' ' LEU . 14.7 t -57.9 -50.48 77.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 74.41 111.132 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.677 ' CD2' HD21 ' A' ' 114' ' ' LEU . 0.1 OUTLIER -57.18 -40.39 77.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 75.0 110.875 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -76.03 -10.52 59.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.157 -0.474 . . . . 74.22 110.936 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 mp -139.46 72.04 37.76 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.598 0.713 . . . . 75.41 110.945 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 130.24 19.06 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.73 2.286 . . . . 65.43 112.349 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.95 179.03 4.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 75.22 110.87 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -126.51 19.01 7.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 73.22 110.854 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.1 m -107.6 -12.9 15.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 63.13 110.882 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 111.92 11.1 17.19 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.742 -0.742 . . . . 63.11 112.485 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.22 -33.95 59.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.924 0.392 . . . . 45.11 110.871 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.6 mmmt -56.34 -56.31 22.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 75.42 110.894 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.2 ttt -56.56 -47.85 78.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 74.21 110.888 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 63.0 m -54.85 -28.28 48.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 73.54 111.111 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.629 ' HG ' HG21 ' A' ' 28' ' ' VAL . 0.3 OUTLIER -73.42 -40.88 63.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 44.35 110.944 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 36.8 t -60.3 -45.2 94.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 74.33 110.873 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 3.6 mt -72.84 -26.31 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 74.1 111.129 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.3 t -72.2 -55.23 7.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 51.24 110.835 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.41 HG13 HG12 ' A' ' 21' ' ' ILE . 5.9 t -56.98 -36.41 50.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 72.43 111.102 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.2 tt -69.97 -37.55 75.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 64.53 110.938 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.22 -53.05 56.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 73.5 110.92 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.07 -46.07 82.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 62.23 111.078 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.529 HD21 HG21 ' A' ' 77' ' ' THR . 0.3 OUTLIER -59.92 -28.22 67.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 72.12 110.9 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.5 m -69.66 -45.66 67.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 45.4 111.142 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 57.9 t -52.49 -57.84 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 74.55 111.139 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.66 ' O ' HD12 ' A' ' 56' ' ' ILE . 27.9 m-85 -63.11 -37.27 86.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 75.0 110.858 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.0 mt -51.85 -58.97 4.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 74.31 110.9 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.7 mt -55.92 -33.8 65.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 72.33 110.86 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 tt -51.71 -63.61 1.08 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.243 -0.435 . . . . 64.03 110.874 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.66 HD12 ' O ' ' A' ' 52' ' ' PHE . 1.8 mp -74.46 -25.56 19.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 71.53 111.1 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 26.5 t -51.97 -30.12 23.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 73.51 110.89 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -93.97 -50.18 5.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 63.21 110.864 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 56.1 mt -149.7 133.2 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 54.02 111.127 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.606 ' HA ' HG23 ' A' ' 56' ' ' ILE . 0.9 OUTLIER -88.66 154.93 50.84 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.631 0.729 . . . . 73.4 111.132 179.853 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.402 ' O ' HG23 ' A' ' 60' ' ' VAL . 53.4 Cg_endo -69.79 167.76 23.55 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.716 2.277 . . . . 73.32 112.291 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -10.28 28.16 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.688 2.259 . . . . 72.32 112.331 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.505 HG23 ' HB2' ' A' ' 7' ' ' PRO . 0.5 OUTLIER -74.61 80.15 1.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 65.33 111.159 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.7 t -166.76 79.66 0.22 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.192 -0.458 . . . . 72.12 110.809 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 m -122.0 -67.97 0.92 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 70.11 110.825 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -82.0 -47.97 12.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 73.33 110.856 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -137.6 160.63 64.34 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.653 0.74 . . . . 73.53 110.858 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -179.37 2.88 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.68 2.253 . . . . 75.41 112.341 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.4 m -143.68 -68.69 0.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 70.51 110.879 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.594 HG21 HG21 ' A' ' 56' ' ' ILE . 4.4 p -55.81 -32.91 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 73.5 111.072 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -76.53 -42.9 20.93 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.775 -0.726 . . . . 73.44 112.43 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -60.19 -38.83 84.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.85 0.357 . . . . 74.42 110.842 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -72.01 -43.04 65.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.172 -0.467 . . . . 75.14 110.906 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.49 -29.67 69.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 65.44 110.89 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.18 -55.75 22.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 52.43 110.859 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -70.88 -25.49 62.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 73.44 110.849 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.529 HG21 HD21 ' A' ' 49' ' ' LEU . 2.6 m -72.91 -48.48 36.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 75.31 111.143 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.83 -38.9 89.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 73.02 110.872 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 15.2 t -57.92 -57.27 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 75.02 111.121 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.47 -46.92 88.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 74.21 110.89 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.6 t -51.95 -47.38 41.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 72.12 111.107 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.5 m -56.33 -50.43 71.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 63.11 111.153 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.26 -33.99 77.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 72.34 110.927 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.39 -51.66 62.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 73.01 110.843 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 10.1 mm -52.65 -42.89 42.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.475 . . . . 75.32 111.128 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 25.3 t -55.5 -45.1 78.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 72.14 111.097 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.67 ' O ' HG23 ' A' ' 91' ' ' VAL . 0.2 OUTLIER -72.81 -25.65 61.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 75.42 111.117 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.45 -41.99 92.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 73.22 110.867 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 27.4 t -71.82 -40.91 69.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 72.41 111.074 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 7.9 t -57.98 -35.15 70.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 71.41 110.879 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 87' ' ' THR . 85.3 t -73.57 -42.52 55.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 74.42 111.107 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.4 mt -66.92 -61.83 1.75 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 64.45 110.877 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -130.14 142.89 50.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 62.25 110.925 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 13.2 p -161.78 146.86 4.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 72.51 111.127 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -172.47 132.59 0.61 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 62.12 110.836 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -112.57 146.04 39.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.451 . . . . 72.21 110.838 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -141.83 114.55 8.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 72.41 110.889 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.31 160.53 57.01 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.663 0.744 . . . . 63.23 110.855 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 -34.25 15.22 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.706 2.271 . . . . 65.41 112.343 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -110.79 156.61 20.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 74.4 110.878 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -88.37 155.47 19.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 75.15 111.098 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -147.74 160.08 43.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 73.15 110.841 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 17.0 p -131.07 164.11 26.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 74.45 111.101 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -161.77 -172.46 29.19 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.705 -0.76 . . . . 53.43 112.486 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -177.03 140.57 4.97 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.754 -0.736 . . . . 65.35 112.477 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 158.02 -76.61 0.2 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.734 -0.746 . . . . 63.53 112.505 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 61.3 23.58 62.42 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 21.22 112.468 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -112.38 -0.61 26.45 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.75 -0.738 . . . . 75.34 112.497 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.17 -35.99 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.857 0.36 . . . . 64.34 111.108 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -54.19 -59.88 4.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 72.34 110.893 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 1.7 mtm-85 -59.86 -24.65 64.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 71.1 110.877 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.12 -60.36 2.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 72.03 110.861 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -58.75 -29.57 66.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 74.11 110.864 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.677 HD21 ' CD2' ' A' ' 29' ' ' PHE . 1.9 mm? -69.24 -51.06 41.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 75.33 110.963 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 56.1 t-105 -52.93 -58.06 8.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 75.25 110.974 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 25.9 pt -58.14 -25.69 27.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 73.12 111.128 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.534 ' CZ ' HG23 ' A' ' 22' ' ' THR . 9.8 t80 -78.39 -32.26 48.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 72.12 110.86 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 114' ' ' LEU . 64.5 t -72.77 -30.58 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 64.31 111.146 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -72.34 -54.31 9.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.478 . . . . 71.31 110.891 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 4.5 p -55.16 -31.76 26.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 75.33 111.118 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -73.26 -34.21 65.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 74.24 110.866 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 118' ' ' VAL . 29.9 t -69.26 -46.94 76.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 65.12 111.088 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -74.74 -41.51 59.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 61.24 110.866 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -59.77 -51.1 61.03 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.792 -0.718 . . . . 73.43 112.47 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 94.7 m -61.96 -44.84 95.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.794 0.33 . . . . 54.51 111.168 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.425 HG22 HD12 ' A' ' 130' ' ' LEU . 52.7 mt -59.79 -32.61 50.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 62.24 111.154 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -64.06 -55.7 22.6 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.752 -0.737 . . . . 54.1 112.48 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 24.1 ptp -72.98 -20.51 61.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.77 0.319 . . . . 74.31 110.886 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -81.45 -19.27 42.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 70.21 110.894 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.425 HD12 HG22 ' A' ' 126' ' ' ILE . 0.2 OUTLIER -81.43 -12.13 59.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.121 -0.49 . . . . 62.11 110.921 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.53 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 1.9 tt0 -57.97 -58.5 18.16 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.63 0.729 . . . . 73.45 110.892 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 131' ' ' GLN . 53.9 Cg_endo -69.7 150.96 69.24 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.735 2.29 . . . . 74.12 112.333 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -66.96 -26.29 66.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 73.41 110.939 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -175.25 178.25 1.73 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 73.33 110.92 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -58.33 -34.67 70.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 73.3 110.954 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 55.26 90.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 72.11 110.888 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 65.34 110.847 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.833 0.349 . . . . 71.3 110.887 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -137.43 175.35 9.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 52.41 111.067 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -106.0 5.27 30.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 74.52 110.857 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -113.61 -21.0 11.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 73.31 110.908 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.523 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 4.5 tt0 -54.43 -58.41 14.12 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.67 0.748 . . . . 75.11 110.908 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.9 Cg_endo -69.78 -38.93 7.08 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.695 2.263 . . . . 64.34 112.328 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.05 -15.51 62.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 75.12 110.935 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -63.25 -26.73 68.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 72.34 110.864 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -76.49 -59.31 2.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 62.33 110.944 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.8 t -51.85 -41.6 61.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.5 . . . . 62.02 111.169 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.4 mm -61.0 -44.51 98.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 62.32 111.13 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -66.64 -13.96 61.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 54.21 110.882 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.97 -23.72 22.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.481 . . . . 63.42 110.89 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.574 HG21 ' CD1' ' A' ' 129' ' ' PHE . 47.5 mm -78.5 -33.09 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 72.21 111.101 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.539 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 1.1 mt -51.87 -57.45 14.81 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.607 0.718 . . . . 73.11 111.135 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.539 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.6 Cg_endo -69.74 -33.21 17.12 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.706 2.271 . . . . 75.42 112.344 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.8 t -54.13 -58.45 7.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 51.52 110.896 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.7 ' CG1' HG21 ' A' ' 125' ' ' THR . 26.8 m -72.45 -34.79 49.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 72.02 111.122 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.444 ' O ' HD23 ' A' ' 24' ' ' LEU . 16.0 tp -58.32 -47.19 84.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 62.23 110.917 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.65 HG21 HG23 ' A' ' 45' ' ' VAL . 49.9 mt -73.76 -52.36 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 74.21 111.126 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.506 HG22 HD11 ' A' ' 26' ' ' ILE . 39.4 m -52.74 -56.11 17.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 74.2 111.165 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.3 t -52.18 -40.77 61.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 64.2 110.895 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.444 HD23 ' O ' ' A' ' 20' ' ' LEU . 0.9 OUTLIER -60.31 -38.08 82.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 63.21 110.892 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.01 -30.64 61.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 60.13 111.13 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.506 HD11 HG22 ' A' ' 22' ' ' THR . 42.2 mt -76.67 -40.69 33.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 62.41 111.108 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -69.42 -24.66 63.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 64.44 110.917 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.5 t -76.55 -44.88 34.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 61.01 111.136 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.41 -40.55 94.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 73.33 110.877 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -81.27 -50.07 9.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.174 -0.466 . . . . 71.14 110.939 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.71 70.44 9.48 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.643 0.735 . . . . 45.41 110.904 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 137.88 36.48 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.646 2.23 . . . . 75.12 112.35 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.6 t -106.74 -13.24 15.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 43.53 110.878 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -145.01 -170.14 3.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 75.2 110.908 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -108.74 -23.64 11.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 72.12 110.875 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -107.73 17.43 35.98 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.741 . . . . 61.25 112.496 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.07 -21.08 59.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.938 0.399 . . . . 73.1 110.903 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -69.51 -59.06 3.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 74.32 110.926 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.2 -41.79 76.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 70.22 110.889 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.3 m -58.58 -34.61 71.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 71.04 111.088 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.4 HD21 ' HB3' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -68.1 -48.54 65.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 70.13 110.919 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.526 ' O ' HD12 ' A' ' 46' ' ' LEU . 0.5 OUTLIER -55.68 -34.36 64.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 53.14 110.888 179.908 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 14.6 mt -78.14 -34.83 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 75.05 111.132 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.0 t -70.97 -45.74 63.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 71.3 110.845 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.65 HG23 HG21 ' A' ' 21' ' ' ILE . 11.2 p -65.53 -30.79 51.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 44.45 111.173 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.526 HD12 ' O ' ' A' ' 42' ' ' CYS . 2.8 mt -73.18 -33.43 65.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 72.43 110.937 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.5 tt -68.89 -56.11 8.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 63.21 110.874 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.71 -49.38 76.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 34.3 111.125 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.466 HD22 HG21 ' A' ' 81' ' ' VAL . 32.2 tp -60.32 -37.22 79.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 54.32 110.925 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.7 m -61.58 -39.63 91.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 74.4 111.145 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 50.5 t -57.94 -60.54 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 72.31 111.123 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.547 ' O ' HD12 ' A' ' 56' ' ' ILE . 1.3 m-85 -61.48 -45.34 94.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 72.15 110.881 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.43 -41.85 73.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 70.14 110.873 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.1 tt -61.05 -35.87 78.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 54.24 110.929 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.92 -61.92 2.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 71.22 110.894 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.547 HD12 ' O ' ' A' ' 52' ' ' PHE . 3.5 mp -63.8 -27.35 42.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 63.44 111.089 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.3 t -57.67 -52.98 63.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 63.02 110.852 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.07 -21.66 63.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 73.4 110.899 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 19.5 mt 66.13 149.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.281 -0.418 . . . . 61.0 111.115 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -148.65 159.62 37.92 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.623 0.725 . . . . 62.53 111.105 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 167.77 23.48 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.665 2.244 . . . . 75.22 112.34 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -49.73 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.691 2.261 . . . . 53.11 112.312 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 52.32 28.28 5.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 74.01 111.126 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.98 -171.13 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 72.3 110.87 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.06 107.86 12.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 63.44 110.859 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.0 p30 -179.13 -177.66 0.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 70.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.1 t -145.23 69.1 14.03 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.637 0.732 . . . . 72.43 110.84 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -44.79 1.84 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.635 2.223 . . . . 71.11 112.336 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.6 m 63.01 89.91 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 42.4 110.865 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.405 HG21 HG23 ' A' ' 56' ' ' ILE . 33.9 m -75.69 -27.79 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 41.51 111.15 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -63.06 -29.13 73.42 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.692 -0.766 . . . . 70.4 112.476 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.59 -62.43 1.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.901 0.381 . . . . 75.01 110.931 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -67.11 -25.48 66.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 73.34 110.915 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.7 tp -69.23 -45.0 70.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.475 . . . . 63.23 110.968 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 45.0 ttp -57.63 -51.51 69.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 75.33 110.876 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -63.1 -25.31 68.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 71.32 110.907 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.7 m -76.9 -50.92 12.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 74.44 111.127 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.5 ttm -58.46 -37.47 75.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 74.34 110.888 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 4.3 t -61.52 -62.08 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 60.51 111.139 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.86 -49.48 76.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 54.31 110.945 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.466 HG21 HD22 ' A' ' 49' ' ' LEU . 4.9 t -55.88 -45.56 79.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 64.44 111.085 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.58 ' O ' HG23 ' A' ' 86' ' ' VAL . 2.9 m -56.89 -37.6 71.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 73.24 111.138 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -65.51 -44.28 87.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 72.34 110.915 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.96 -48.86 69.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.5 . . . . 44.41 110.891 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 8.8 mm -57.39 -40.69 75.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 72.22 111.171 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 82' ' ' THR . 17.5 t -56.2 -42.24 72.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.492 . . . . 75.44 111.131 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -38.23 81.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 72.21 111.169 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.7 t -56.34 -57.37 12.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 74.21 110.895 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 83.2 t -63.18 -26.58 41.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 74.41 111.12 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.26 -30.78 70.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 64.15 110.916 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 91.2 t -82.66 -32.45 10.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 70.52 111.109 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.1 tp -76.6 -62.49 1.61 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 73.44 110.911 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 61.0 m-20 -110.81 166.26 11.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 52.43 110.908 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.6 p -116.86 139.58 43.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 73.43 111.14 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -163.63 118.3 1.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 74.14 110.863 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 25.1 m80 -137.26 129.28 29.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 75.21 110.846 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.7 mtm180 -83.08 99.83 10.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 61.43 110.888 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.2 p -171.11 160.58 5.4 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.67 0.748 . . . . 75.14 110.878 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -42.49 3.4 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.705 2.27 . . . . 75.23 112.347 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -133.22 155.41 49.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 63.15 110.871 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 77.1 p -98.69 164.01 12.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 51.15 111.124 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 15.5 t-160 -127.31 -73.74 0.6 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 71.31 110.844 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 22.2 p -138.41 177.9 7.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 74.1 111.12 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -94.42 -63.42 1.02 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.782 -0.723 . . . . 64.32 112.509 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 93.85 66.65 1.05 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.791 -0.719 . . . . 70.35 112.516 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -110.61 53.21 0.59 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 53.4 112.494 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -98.95 -135.47 8.92 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.716 -0.754 . . . . 72.15 112.486 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -101.8 15.53 56.87 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 20.45 112.511 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.24 -35.99 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.827 0.346 . . . . 74.3 111.115 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -52.99 -44.25 67.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 74.51 110.856 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -51.5 69.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 74.22 110.878 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.1 mp -53.5 -34.08 56.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 63.11 110.886 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -72.11 -29.9 64.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 62.44 110.89 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.713 ' O ' HG23 ' A' ' 118' ' ' VAL . 0.1 OUTLIER -71.95 -46.65 56.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.499 . . . . 74.3 110.908 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -53.17 -55.78 21.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 74.03 110.885 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 23.2 pt -60.84 -29.98 46.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 72.33 111.142 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -75.74 -26.65 57.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 65.42 110.859 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 114' ' ' LEU . 94.7 t -81.07 -37.72 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 75.44 111.072 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -67.36 -31.58 71.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 72.04 110.889 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 10.4 p -81.62 -34.07 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 64.55 111.107 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.3 -20.68 40.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 73.12 110.86 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.9 t -83.93 -55.71 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 73.51 111.12 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -57.02 -42.2 79.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 65.32 110.861 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -70.07 -58.44 6.16 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 64.22 112.486 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.7 HG21 ' CG1' ' A' ' 19' ' ' VAL . 99.7 m -57.28 -60.25 3.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.743 0.306 . . . . 71.33 111.1 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 40.2 mm -54.53 -26.82 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 73.14 111.132 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -58.12 -60.15 9.49 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.741 . . . . 52.34 112.504 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 10.0 ptt? -81.69 -23.46 36.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.778 0.323 . . . . 71.25 110.892 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.574 ' CD1' HG21 ' A' ' 15' ' ' ILE . 64.2 t80 -72.12 -14.0 61.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 73.43 110.874 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 1.3 mt -79.21 -19.2 51.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 64.54 110.887 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.52 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 0.8 OUTLIER -51.27 -58.58 10.13 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.594 0.711 . . . . 54.24 110.923 179.903 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 131' ' ' GLN . 53.5 Cg_endo -69.83 150.98 68.52 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.672 2.248 . . . . 71.35 112.318 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -66.89 -26.37 66.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 74.1 110.879 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -173.05 -179.06 1.92 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 63.11 110.869 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -73.15 -17.95 61.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 64.11 110.916 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 56.21 85.12 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 71.5 110.859 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 71.34 110.9 -179.939 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.828 0.347 . . . . 65.14 110.845 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -123.83 98.35 5.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 74.11 111.078 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -98.45 27.79 4.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 54.53 110.882 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -114.1 22.0 14.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.483 . . . . 75.32 110.851 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.526 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 3.7 tt0 -61.32 -58.37 19.23 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.597 0.713 . . . . 73.11 110.924 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.2 Cg_endo -69.74 -26.92 27.18 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.66 2.24 . . . . 63.42 112.346 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.01 -21.9 43.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 64.4 110.946 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -77.26 -30.28 54.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 53.45 110.857 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -65.04 -58.71 5.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 73.23 110.941 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.0 t -52.72 -39.51 62.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 44.14 111.164 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.7 mm -62.19 -43.3 97.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 72.02 111.092 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -68.19 -13.35 62.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 75.11 110.865 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -88.96 -25.2 22.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 72.51 110.908 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.441 ' O ' HG23 ' A' ' 19' ' ' VAL . 47.8 mm -78.97 -31.35 14.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 70.0 111.149 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.545 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 1.6 mt -52.37 -57.49 15.26 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.617 0.722 . . . . 74.33 111.121 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.545 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.8 Cg_endo -69.71 -35.31 13.03 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.677 2.251 . . . . 75.42 112.395 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 39.9 t -55.68 -57.41 12.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 74.13 110.878 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.491 HG22 HG21 ' A' ' 125' ' ' THR . 17.6 t -65.25 -31.66 54.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 61.03 111.116 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.91 -35.34 78.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 74.24 110.919 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.666 HG21 HG23 ' A' ' 45' ' ' VAL . 11.4 mt -64.65 -42.21 94.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 74.24 111.147 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.2 m -59.16 -47.18 86.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 64.15 111.178 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.67 -45.43 66.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 72.32 110.882 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -52.06 -53.33 43.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 74.5 110.903 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.38 -43.94 84.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 72.21 111.111 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.621 HD11 HG22 ' A' ' 118' ' ' VAL . 60.9 mt -60.91 -43.5 95.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 73.44 111.124 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.1 -28.81 69.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 72.31 110.912 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 20.3 t -73.85 -40.03 52.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 75.44 111.15 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -70.47 -37.21 74.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 74.22 110.899 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.4 ' HB3' HD12 ' A' ' 31' ' ' LEU . 5.8 m-85 -80.42 -24.37 39.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 72.43 110.883 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.4 HD12 ' HB3' ' A' ' 30' ' ' TYR . 4.9 mp -142.04 71.91 23.16 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.61 0.719 . . . . 53.42 110.944 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 161.29 46.5 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.723 2.282 . . . . 72.51 112.338 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -120.3 -171.89 2.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 62.54 110.882 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -101.49 -18.79 15.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 74.13 110.873 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.56 -18.41 59.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 64.03 110.885 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 92.84 56.9 1.46 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.7 -0.762 . . . . 74.54 112.514 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -63.1 -19.53 64.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.897 0.379 . . . . 55.32 110.857 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.49 -47.51 83.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 72.13 110.89 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.72 -35.12 62.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 62.14 110.875 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.66 -31.52 72.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.425 . . . . 43.15 111.166 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.725 ' O ' HG12 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -73.03 -46.94 49.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 74.3 110.925 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.8 t -56.24 -38.83 71.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 65.24 110.912 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 18.2 mt -72.12 -33.32 46.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 60.1 111.11 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.9 t -73.29 -60.17 2.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.458 . . . . 73.12 110.839 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.725 HG12 ' O ' ' A' ' 41' ' ' LEU . 3.8 p -52.29 -30.44 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 75.31 111.129 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.6 tt -70.76 -46.69 62.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 74.15 110.902 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.567 ' O ' HG23 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -57.3 -36.92 71.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 75.02 110.9 179.902 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.6 -47.61 84.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 74.23 111.051 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.1 tp -54.23 -46.86 72.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 72.53 110.897 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.53 -35.35 80.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 63.42 111.13 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 47' ' ' LEU . 43.3 t -62.39 -39.67 85.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.43 . . . . 73.21 111.127 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -66.29 -42.74 87.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 72.44 110.885 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.97 -50.63 66.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 75.52 110.925 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.11 -28.63 68.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 75.23 110.941 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.74 -56.07 23.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 61.31 110.888 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.569 HG21 HG11 ' A' ' 70' ' ' VAL . 2.2 mp -67.82 -36.5 76.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 71.21 111.136 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.65 -48.09 66.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 73.32 110.893 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.98 -21.49 37.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.092 -0.504 . . . . 73.31 110.888 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.809 HG22 ' HD3' ' A' ' 61' ' ' PRO . 18.9 mt 65.91 111.77 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 51.44 111.139 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.7 t -119.18 73.04 13.31 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.636 0.731 . . . . 61.05 111.158 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.809 ' HD3' HG22 ' A' ' 59' ' ' ILE . 54.1 Cg_endo -69.68 167.79 23.33 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.696 2.264 . . . . 63.54 112.375 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 -32.89 17.27 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.678 2.252 . . . . 71.41 112.318 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.6 t -161.78 31.02 0.13 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.232 -0.44 . . . . 73.1 111.105 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.8 t 62.93 103.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 42.24 110.86 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.2 t -160.68 -72.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 44.42 110.888 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -169.97 177.14 4.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 73.02 110.847 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -159.29 160.55 28.43 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.674 0.75 . . . . 74.2 110.83 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 179.42 3.69 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.697 2.265 . . . . 64.45 112.369 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.04 103.17 15.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 75.2 110.84 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.569 HG11 HG21 ' A' ' 56' ' ' ILE . 5.4 p -61.71 -19.34 20.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 73.45 111.139 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -57.98 -34.74 73.22 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 74.41 112.46 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -63.76 -65.88 0.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 44.13 110.855 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -57.03 -43.94 82.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 73.32 110.898 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 19.8 tp -56.0 -41.9 75.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 54.42 110.932 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 29.1 ttp -54.23 -48.71 70.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 73.34 110.853 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -72.96 -32.06 64.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 74.32 110.878 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.3 m -62.04 -56.05 22.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 62.0 111.125 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.2 mmt -55.32 -41.71 72.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 70.51 110.913 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 3.6 t -54.29 -61.53 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 74.12 111.102 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.48 -42.52 92.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 62.51 110.9 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.8 t -56.48 -44.1 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 71.41 111.135 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 m -58.12 -43.35 87.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 54.42 111.131 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -65.32 -28.53 69.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 74.44 110.896 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.1 m -73.03 -49.28 29.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 75.31 110.802 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.472 ' O ' HG23 ' A' ' 89' ' ' VAL . 40.8 mm -63.93 -36.69 77.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 74.13 111.101 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 3.6 t -57.9 -54.55 30.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 71.34 111.155 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 91.0 m -66.41 -39.33 88.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 71.03 111.141 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.2 m -58.35 -44.23 88.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 73.44 110.83 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 85' ' ' ILE . 78.3 t -70.23 -29.92 41.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 52.53 111.127 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.58 -30.06 56.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 74.22 110.903 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 52.6 t -80.32 -36.79 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 65.13 111.126 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.66 -17.21 64.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 34.4 110.94 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -64.87 -56.36 13.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 75.02 110.919 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -177.19 157.57 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 40.21 111.104 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -166.51 61.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 64.21 110.848 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -152.28 -54.36 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 74.2 110.831 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -128.94 128.79 44.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.437 . . . . 75.3 110.83 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.68 160.56 47.05 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.679 0.752 . . . . 73.32 110.833 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -40.15 5.63 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.672 2.248 . . . . 74.32 112.357 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.93 136.77 54.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 75.12 110.918 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 11.6 t -155.69 144.81 20.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 43.41 111.101 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 7.3 m80 -124.01 56.66 1.23 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 72.41 110.89 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.16 -176.82 4.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 70.35 111.135 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 169.64 41.42 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.692 -0.766 . . . . 54.13 112.479 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -174.42 -69.0 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.703 -0.76 . . . . 61.03 112.452 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -144.11 171.53 25.57 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.746 . . . . 60.33 112.486 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -73.32 95.83 0.78 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.712 -0.756 . . . . 53.31 112.515 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -90.77 -38.14 6.22 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.752 -0.737 . . . . 73.55 112.457 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.18 -36.01 16.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.86 0.362 . . . . 72.32 111.162 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -71.52 -58.01 3.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 74.53 110.864 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -52.27 -34.32 45.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 75.24 110.914 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.7 tp -60.63 -59.38 5.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 71.41 110.901 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.01 -24.56 67.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 65.41 110.897 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.404 ' O ' HG23 ' A' ' 118' ' ' VAL . 0.3 OUTLIER -67.92 -44.93 75.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 54.41 110.929 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -79.59 -42.13 25.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 64.25 110.961 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 1.1 tt -56.31 -24.67 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 65.55 111.142 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -81.08 -59.2 2.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 72.1 110.885 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.621 HG22 HD11 ' A' ' 26' ' ' ILE . 37.3 t -52.79 -28.74 13.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 75.4 111.147 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -70.32 -57.08 5.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 74.03 110.875 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 11.1 p -64.45 -25.63 38.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.109 -0.496 . . . . 71.43 111.104 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 62.8 m -79.07 -57.37 3.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 75.23 110.89 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.7 p -59.61 -23.36 25.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 74.05 111.165 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -74.6 -48.5 26.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 74.2 110.886 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -70.97 -40.05 63.14 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.73 . . . . 64.03 112.496 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.491 HG21 HG22 ' A' ' 19' ' ' VAL . 31.7 p -65.67 -60.0 3.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.817 0.341 . . . . 74.41 111.141 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 26.7 mm -57.98 -24.79 24.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 64.42 111.16 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -61.84 -58.04 14.73 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.702 -0.761 . . . . 64.21 112.506 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 8.3 ptp -81.75 -25.11 35.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.791 0.329 . . . . 54.44 110.824 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -71.35 -51.32 24.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 64.15 110.926 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -88.9 2.02 54.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 72.54 110.902 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.531 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 1.4 tt0 -53.3 -58.48 12.44 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.613 0.721 . . . . 74.51 110.937 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 131' ' ' GLN . 53.5 Cg_endo -69.73 150.96 69.06 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.676 2.251 . . . . 72.11 112.329 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -66.91 -26.34 66.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 72.21 110.955 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -174.53 -77.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 70.23 110.88 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -110.68 -31.49 7.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 43.01 110.91 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 56.03 92.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 62.14 110.892 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 70.12 110.876 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.863 0.363 . . . . 71.22 110.877 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -124.48 85.6 2.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 64.23 111.11 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -123.05 8.72 9.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.192 -0.458 . . . . 62.22 110.89 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -99.43 42.2 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 75.21 110.93 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.527 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 5.3 tt0 -55.43 -58.43 15.4 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.647 0.737 . . . . 74.31 110.888 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.6 Cg_endo -69.79 -34.36 14.64 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.706 2.271 . . . . 64.32 112.34 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.78 -20.71 66.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 72.33 110.888 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -83.0 -32.71 26.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 75.4 110.882 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.19 -50.44 63.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 63.21 110.932 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.8 t -51.89 -41.66 62.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 72.43 111.181 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 80.6 mt -61.76 -41.44 90.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 64.21 111.098 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -70.38 -11.15 60.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 71.51 110.83 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.89 -27.77 20.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 72.32 110.939 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.5 mm -79.29 -30.48 14.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 71.23 111.142 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.533 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 1.4 mm -51.81 -57.45 14.73 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.609 0.718 . . . . 71.41 111.138 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 54.0 Cg_endo -69.78 -38.23 8.03 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.688 2.258 . . . . 74.05 112.368 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -52.02 -56.84 11.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 72.14 110.915 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.686 HG22 HG21 ' A' ' 125' ' ' THR . 61.4 t -65.97 -46.31 88.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 63.51 111.113 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -52.44 -43.64 65.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 64.41 110.909 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.533 HD11 ' HB1' ' A' ' 48' ' ' ALA . 9.6 mt -56.77 -48.39 81.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 73.21 111.173 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.679 HG21 ' HB2' ' A' ' 121' ' ' CYS . 0.6 OUTLIER -67.97 -55.5 12.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.193 -0.458 . . . . 61.14 111.153 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.72 -37.19 58.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 70.35 110.907 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.8 mt -64.33 -39.38 93.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.092 -0.504 . . . . 64.14 110.958 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.7 -32.38 60.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 62.14 111.139 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.603 HD13 HG22 ' A' ' 118' ' ' VAL . 55.1 mt -74.15 -48.94 35.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 75.33 111.107 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.4 mp -53.94 -51.74 62.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.183 -0.462 . . . . 65.24 110.907 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.442 HG21 HD23 ' A' ' 41' ' ' LEU . 5.2 t -53.06 -51.51 37.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 65.41 111.152 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.525 ' CG ' HD11 ' A' ' 114' ' ' LEU . 1.6 m-85 -62.97 -20.68 65.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 74.13 110.906 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -85.93 -32.97 21.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 72.12 110.92 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.0 mp -128.41 68.81 78.01 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.579 0.704 . . . . 55.34 110.921 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 120.86 7.58 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.666 2.244 . . . . 72.22 112.386 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.19 175.11 5.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 72.43 110.862 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -100.09 19.07 17.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.11 -0.496 . . . . 65.24 110.896 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.1 t -100.48 -9.8 21.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 63.35 110.879 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 92.41 44.29 4.06 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.701 -0.761 . . . . 71.42 112.493 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -68.25 -21.52 64.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.898 0.38 . . . . 60.13 110.865 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.79 -45.76 91.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 54.11 110.887 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 7.5 ttt -73.67 -43.06 60.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 72.34 110.862 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 74.5 m -56.3 -41.44 75.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.256 -0.429 . . . . 73.0 111.18 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.503 HD13 ' O ' ' A' ' 41' ' ' LEU . 0.3 OUTLIER -65.44 -39.65 92.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 61.54 110.955 179.93 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 42.6 t -53.04 -46.04 68.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 65.32 110.862 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 12.9 mm -69.11 -33.2 57.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 74.33 111.105 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.49 -56.37 16.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 73.34 110.885 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.2 t -53.3 -40.37 39.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 60.03 111.107 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.0 tt -58.44 -41.6 85.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 72.53 110.883 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.5 -43.02 79.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 75.2 110.911 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.533 ' HB1' HD11 ' A' ' 21' ' ' ILE . . . -55.88 -45.16 78.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 64.23 111.127 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -54.24 -43.31 70.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 64.33 110.876 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.11 -42.44 94.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 73.44 111.148 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 71.4 t -56.14 -46.29 81.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 74.41 111.108 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.641 ' O ' HD12 ' A' ' 56' ' ' ILE . 15.6 m-85 -54.98 -39.87 69.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 74.24 110.921 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.98 -55.67 28.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 54.45 110.952 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 18.0 mt -57.74 -34.49 69.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 74.43 110.948 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.01 -62.5 1.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 74.24 110.89 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.824 HG23 ' HA ' ' A' ' 60' ' ' VAL . 4.0 mp -74.51 -24.06 18.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 72.0 111.155 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.3 t -52.1 -33.34 39.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 73.2 110.854 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.38 -49.9 5.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 74.23 110.9 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 27.9 mm -150.5 131.91 5.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 73.43 111.147 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.824 ' HA ' HG23 ' A' ' 56' ' ' ILE . 3.1 m -51.18 156.27 1.94 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.616 0.722 . . . . 61.31 111.113 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 167.79 23.38 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.638 2.226 . . . . 61.51 112.365 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -21.5 33.17 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.667 2.244 . . . . 72.21 112.316 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.1 p -71.7 -17.58 62.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 73.31 111.149 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.1 m -86.7 106.24 17.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 55.23 110.868 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.4 t -113.33 -65.64 1.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 74.02 110.835 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -122.58 12.54 10.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 74.25 110.881 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.29 160.58 14.31 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.572 0.701 . . . . 55.45 110.911 -179.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 123.86 10.5 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.658 2.239 . . . . 74.34 112.328 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.0 m -114.91 -22.96 9.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 75.22 110.873 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.3 p -58.3 -25.28 26.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 71.03 111.117 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -79.51 -35.61 28.71 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.743 -0.741 . . . . 64.34 112.459 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.76 -60.39 3.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.84 0.353 . . . . 71.34 110.884 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -61.53 -48.85 79.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 73.44 110.942 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.7 tp -52.39 -35.93 52.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 50.03 110.925 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -60.08 4.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 73.11 110.885 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.17 -23.82 65.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 74.0 110.855 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.452 ' O ' HG23 ' A' ' 81' ' ' VAL . 58.2 m -71.54 -53.89 12.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 72.45 111.16 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.1 mmt -61.48 -32.8 72.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 73.43 110.877 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 5.1 t -62.7 -57.54 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 61.42 111.136 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -65.21 -33.21 75.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 54.11 110.929 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 77' ' ' THR . 6.6 t -61.96 -39.06 82.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 71.31 111.137 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 55.3 m -66.42 -44.61 82.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.469 . . . . 70.22 111.117 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -24.03 67.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 64.34 110.891 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.05 -43.22 54.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 71.52 110.835 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 22.2 mm -58.57 -37.01 62.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 61.21 111.157 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 49.0 t -65.32 -46.73 89.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 73.35 111.101 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -69.88 -31.27 69.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 61.15 111.112 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.37 -61.47 2.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 54.3 110.883 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 11.7 p -64.51 -30.44 50.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.51 . . . . 62.24 111.156 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.17 -45.67 65.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 73.43 110.882 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.5 t -76.93 -28.28 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 62.44 111.166 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.24 -42.5 88.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 63.43 110.928 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -58.43 140.42 53.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 72.04 110.85 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.4 p -130.82 143.1 41.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 74.43 111.176 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -142.98 140.64 31.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 41.54 110.859 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 5.9 m80 -63.19 -69.97 0.24 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 74.54 110.827 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -65.61 169.79 5.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 55.44 110.839 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.22 160.55 59.28 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.681 0.753 . . . . 72.24 110.873 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -31.4 20.84 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.737 2.291 . . . . 72.21 112.356 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -176.48 144.75 0.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 75.12 110.94 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 8.1 p -55.01 172.28 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 74.23 111.14 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -164.01 157.0 17.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 75.3 110.822 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 4.9 p -95.44 17.38 14.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 63.24 111.099 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -179.86 127.48 1.13 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.757 -0.735 . . . . 73.24 112.461 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -74.74 132.06 13.57 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.701 -0.762 . . . . 44.23 112.509 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 105.16 168.36 24.0 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.772 -0.727 . . . . 73.55 112.494 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -148.29 -175.46 20.93 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.731 . . . . 54.15 112.478 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -109.88 -3.14 30.21 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.768 -0.73 . . . . 63.21 112.487 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.15 -36.08 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.82 0.343 . . . . 62.11 111.121 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -74.32 -41.14 61.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 74.11 110.873 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 1.5 mtt85 -65.2 -36.1 83.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 75.44 110.922 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.07 -44.39 96.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 75.04 110.957 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.568 ' CD1' HD11 ' A' ' 116' ' ' ILE . 55.1 t80 -67.94 -24.74 65.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 71.52 110.887 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.525 HD11 ' CG ' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -74.54 -44.39 51.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 64.13 110.926 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 23.0 t90 -56.12 -44.11 78.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.464 . . . . 63.33 110.929 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.568 HD11 ' CD1' ' A' ' 113' ' ' PHE . 38.6 pt -72.66 -24.89 21.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 73.4 111.094 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.468 ' CD1' HG23 ' A' ' 22' ' ' THR . 0.1 OUTLIER -68.28 -38.16 81.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 75.54 110.902 179.916 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.603 HG22 HD13 ' A' ' 26' ' ' ILE . 67.9 t -71.28 -41.73 74.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 64.52 111.115 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -57.39 -56.0 27.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 64.31 110.82 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 11.4 p -58.71 -32.2 46.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 72.1 111.116 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 0.679 ' HB2' HG21 ' A' ' 22' ' ' THR . 0.5 OUTLIER -71.35 -46.2 61.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 75.45 110.885 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 37.5 t -66.39 -62.31 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 60.21 111.11 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -57.52 -28.94 63.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 65.25 110.872 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -70.29 -57.0 7.12 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.777 -0.725 . . . . 75.24 112.512 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.686 HG21 HG22 ' A' ' 19' ' ' VAL . 41.5 p -54.87 -48.41 72.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.781 0.324 . . . . 75.1 111.118 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 94.1 mt -66.12 -28.57 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 71.42 111.167 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -72.03 -46.09 38.0 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 41.23 112.531 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 23.4 ptp -75.54 -24.01 56.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.799 0.333 . . . . 74.12 110.87 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -83.8 -34.41 24.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 65.23 110.922 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -100.1 1.5 42.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.494 . . . . 74.5 110.949 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.52 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 1.8 tt0 -56.52 -58.47 16.86 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.622 0.725 . . . . 74.41 110.94 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 131' ' ' GLN . 53.7 Cg_endo -69.74 150.99 69.07 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.658 2.239 . . . . 75.32 112.336 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -66.81 -26.4 66.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 63.22 110.913 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -174.29 -77.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 71.32 110.918 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -110.66 -28.37 8.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 71.42 110.919 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 55.41 84.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 55.41 110.86 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 74.54 110.893 -179.958 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 10.2 t30 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.888 0.375 . . . . 74.02 110.887 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -128.78 14.19 6.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 62.52 111.118 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -126.42 49.23 2.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 75.0 110.934 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -98.23 12.24 35.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 63.24 110.844 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.521 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 1.9 tt0 -57.56 -58.36 18.83 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.619 0.723 . . . . 71.34 110.9 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.4 Cg_endo -69.79 -20.53 34.59 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.726 2.284 . . . . 74.42 112.339 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.28 -17.46 62.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 74.11 110.933 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.472 ' HA ' HD12 ' A' ' 12' ' ' ILE . 1.1 m-85 -78.56 -25.5 45.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 62.24 110.936 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -66.7 -57.18 7.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 75.33 110.924 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.729 ' O ' HD12 ' A' ' 15' ' ' ILE . 4.1 t -53.13 -39.65 63.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.498 . . . . 74.14 111.104 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.472 HD12 ' HA ' ' A' ' 9' ' ' PHE . 61.6 mt -60.05 -45.68 95.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 62.22 111.144 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -67.16 -14.79 63.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 74.1 110.888 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.28 -23.54 23.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 63.11 110.966 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.729 HD12 ' O ' ' A' ' 11' ' ' THR . 1.3 mp -79.21 -32.26 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 75.21 111.113 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.543 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 2.3 mt -51.98 -57.46 14.91 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.613 0.721 . . . . 52.4 111.143 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.543 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.9 Cg_endo -69.76 -34.68 14.1 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.698 2.265 . . . . 52.12 112.336 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -53.84 -56.86 13.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 73.21 110.869 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.6 t -62.47 -42.01 94.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 63.43 111.153 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.83 -45.7 85.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 62.51 110.921 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 5.1 mt -52.7 -50.63 40.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 71.3 111.11 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.1 m -55.28 -45.47 76.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 75.02 111.109 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.2 p -54.59 -41.84 70.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 71.0 110.846 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.5 mt -53.43 -56.47 16.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 65.11 110.874 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.05 -41.21 67.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 70.41 111.13 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 51.1 mt -65.58 -36.06 76.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 61.24 111.138 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -44.45 92.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 74.11 110.906 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 31.2 t -60.23 -36.98 71.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 73.44 111.128 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.414 ' CD2' HD11 ' A' ' 114' ' ' LEU . 4.5 m-85 -74.9 -18.13 60.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 74.41 110.888 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -96.04 -21.34 18.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 63.51 110.901 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.6 mp -130.13 72.98 81.75 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.552 0.692 . . . . 75.12 110.871 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 142.34 47.7 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.684 2.256 . . . . 75.43 112.328 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.43 162.69 37.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 65.22 110.886 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.6 p30 -98.48 45.32 1.01 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 72.44 110.879 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.23 0.62 21.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 74.11 110.868 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.4 24.64 58.6 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.732 -0.747 . . . . 75.2 112.486 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.99 -35.34 78.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.855 0.36 . . . . 74.33 110.878 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.21 -51.06 65.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 61.0 110.916 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.8 mtt -67.12 -42.39 84.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 73.12 110.881 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 55.1 m -59.4 -38.75 81.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 65.44 111.155 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.38 -47.91 84.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 75.14 110.947 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.6 t -58.67 -32.73 69.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 74.11 110.871 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 51.3 mt -75.37 -30.91 23.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 74.32 111.113 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.53 -55.2 7.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 62.11 110.889 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.2 p -61.48 -25.35 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 72.3 111.128 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.5 HD23 ' N ' ' A' ' 47' ' ' LEU . 2.3 tt -75.02 -53.78 8.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 75.11 110.92 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.5 ' N ' HD23 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -52.1 -51.39 58.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 74.24 110.927 179.9 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.13 -42.45 69.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 64.02 111.096 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.63 -47.84 75.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 74.14 110.929 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.7 m -69.52 -29.91 67.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 75.22 111.133 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 23.6 t -68.63 -32.96 57.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 73.13 111.098 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.666 ' O ' HD12 ' A' ' 56' ' ' ILE . 10.0 m-85 -69.62 -49.38 54.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 75.33 110.917 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.59 -59.25 4.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 63.44 110.923 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.7 tp -52.56 -37.74 58.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 70.03 110.921 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.88 -65.99 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 73.52 110.921 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.666 HD12 ' O ' ' A' ' 52' ' ' PHE . 1.9 mp -70.98 -21.1 22.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 64.31 111.104 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.7 t -48.69 -41.17 30.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 72.11 110.893 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.0 ptmt -95.41 -22.67 17.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 65.31 110.87 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.8 mt -119.81 62.18 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 62.4 111.09 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.565 ' HA ' HG22 ' A' ' 56' ' ' ILE . 2.9 m -50.83 156.58 1.6 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.61 0.719 . . . . 53.04 111.12 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.468 ' HG3' HG12 ' A' ' 70' ' ' VAL . 53.9 Cg_endo -69.83 167.76 23.6 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.648 2.232 . . . . 35.55 112.335 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -13.76 35.17 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.682 2.255 . . . . 74.22 112.334 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.03 86.01 2.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 65.03 111.167 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.61 119.3 35.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 54.41 110.843 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.9 t -164.16 -73.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 45.35 110.859 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -129.07 -53.94 1.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 70.45 110.864 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.9 t -117.44 70.33 6.26 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.65 0.738 . . . . 73.44 110.893 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 157.01 61.84 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.663 2.242 . . . . 64.44 112.324 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.94 -50.33 73.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 72.3 110.848 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.468 HG12 ' HG3' ' A' ' 61' ' ' PRO . 8.9 p -54.05 -30.96 20.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 62.53 111.164 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -79.65 -42.72 11.02 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.768 -0.729 . . . . 61.41 112.459 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -55.24 -55.96 25.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.842 0.353 . . . . 71.22 110.88 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -64.25 -32.44 74.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 71.43 110.882 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 38.5 tp -65.94 -45.85 80.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 75.33 110.932 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.89 -45.64 71.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 74.32 110.93 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -65.97 -33.24 75.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 73.51 110.879 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 51.7 m -74.0 -29.43 61.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 70.44 111.166 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 5.5 mmt -65.77 -55.01 19.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 71.42 110.858 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 22.3 m -62.17 -27.48 42.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 74.35 111.137 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.21 -57.53 3.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 41.31 110.894 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -61.41 -21.0 24.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 74.22 111.126 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.0 m -69.59 -51.82 31.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 72.35 111.115 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -59.06 -37.01 76.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 62.41 110.866 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.8 t -60.48 -45.96 91.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 71.21 110.868 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.7 mm -57.34 -48.45 82.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 63.43 111.15 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 53.9 t -56.31 -39.81 62.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 73.35 111.123 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.473 ' O ' HG23 ' A' ' 91' ' ' VAL . 0.9 OUTLIER -70.63 -27.52 64.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 53.32 111.113 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.4 m -66.08 -43.74 86.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 71.54 110.851 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 93.8 t -78.45 -40.11 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 74.12 111.122 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 34.9 t -54.86 -40.45 69.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 41.03 110.882 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 87' ' ' THR . 74.3 t -71.19 -43.35 75.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 61.54 111.129 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -57.55 -41.97 82.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 72.1 110.936 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -174.92 149.13 1.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 74.23 110.887 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.4 p -69.18 142.4 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 74.1 111.143 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -137.39 119.6 15.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 73.44 110.859 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -78.73 133.32 37.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 53.35 110.89 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.32 168.98 17.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 75.51 110.838 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.08 160.54 0.12 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.662 0.744 . . . . 21.13 110.845 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -43.48 2.67 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.688 2.259 . . . . 74.23 112.346 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -112.15 176.5 4.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 74.52 110.904 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 81.6 p -82.73 165.07 20.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 72.51 111.162 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -125.37 -64.99 1.04 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 75.54 110.904 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.11 141.41 32.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 60.13 111.162 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -61.26 -63.85 4.54 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.773 -0.727 . . . . 65.12 112.514 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 95.61 -152.53 20.38 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.684 -0.77 . . . . 63.41 112.478 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 154.79 -156.46 26.91 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.716 -0.754 . . . . 72.24 112.453 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -85.8 155.88 29.54 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.769 -0.729 . . . . 72.24 112.523 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 96.82 -14.67 63.76 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.773 -0.727 . . . . 72.3 112.485 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.2 -35.99 16.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.853 0.359 . . . . 75.03 111.139 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -61.84 -55.06 33.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 60.41 110.907 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.49 -30.67 61.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 62.41 110.838 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.1 mt -65.8 -46.12 79.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 73.24 110.85 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.0 -24.59 66.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 71.24 110.884 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.414 HD11 ' CD2' ' A' ' 29' ' ' PHE . 1.3 mp -68.23 -43.64 77.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 74.21 110.909 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 7.1 t-105 -80.13 -42.23 23.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 63.45 110.954 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 1.1 tt -56.3 -24.81 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 74.0 111.147 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.09 -59.12 2.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 75.14 110.914 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 65.5 t -53.27 -28.28 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 64.24 111.116 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -70.34 -59.43 2.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 72.14 110.878 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 11.3 p -62.75 -23.06 31.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 74.11 111.14 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -79.55 -51.72 8.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 73.42 110.866 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 25.4 t -61.27 -43.24 96.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 72.55 111.173 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -60.44 -61.86 2.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 64.43 110.873 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -55.44 -46.74 79.57 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 43.2 112.469 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 39.7 m -58.62 -60.85 3.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.764 0.316 . . . . 71.32 111.129 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 23.2 mt -52.74 -33.22 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 72.23 111.108 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -57.41 -60.56 8.79 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.716 -0.754 . . . . 34.24 112.532 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 23.3 ptp -73.71 -23.23 59.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.78 0.324 . . . . 34.23 110.855 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -73.02 -14.33 61.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 73.32 110.905 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -79.39 -25.04 42.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 61.54 110.948 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.528 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 3.0 tt0 -53.86 -58.48 13.11 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.61 0.719 . . . . 75.41 110.912 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 131' ' ' GLN . 53.5 Cg_endo -69.73 150.93 69.04 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.696 2.264 . . . . 63.24 112.347 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -66.89 -26.34 66.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 53.51 110.887 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -175.35 178.91 1.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 75.44 110.88 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -62.48 -31.84 72.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 70.31 110.911 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 53.42 72.67 0.42 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 72.33 110.843 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 72.44 110.857 -179.921 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.9 t30 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.864 0.364 . . . . 62.5 110.903 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 58.59 94.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 45.52 111.107 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -125.82 35.33 4.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 63.42 110.867 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -109.08 10.03 26.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 73.51 110.91 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.534 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 3.1 tt0 -65.15 -58.4 12.59 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.619 0.723 . . . . 71.22 110.858 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.606 ' O ' HG23 ' A' ' 63' ' ' THR . 53.3 Cg_endo -69.77 -35.79 11.97 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.707 2.272 . . . . 72.51 112.317 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.604 HD11 ' CD ' ' A' ' 131' ' ' GLN . 0.2 OUTLIER -65.37 -16.3 63.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 74.33 110.955 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -58.24 -23.1 54.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 64.24 110.879 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -73.15 -60.82 2.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 71.2 110.935 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.737 ' O ' HD12 ' A' ' 15' ' ' ILE . 5.3 t -59.89 -38.34 81.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.074 -0.512 . . . . 71.21 111.13 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.73 HD11 ' HG3' ' A' ' 132' ' ' PRO . 12.6 mm -64.57 -45.77 94.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 65.21 111.149 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -67.89 -13.08 61.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 74.41 110.872 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.95 -24.85 22.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 73.23 110.938 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.737 HD12 ' O ' ' A' ' 11' ' ' THR . 1.4 mp -78.95 -32.14 15.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 73.24 111.109 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.547 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 2.2 mt -51.95 -57.5 14.71 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.608 0.718 . . . . 74.32 111.098 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.547 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.8 Cg_endo -69.71 -36.2 11.38 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.671 2.247 . . . . 71.44 112.369 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -52.58 -54.71 29.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 64.33 110.88 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 15' ' ' ILE . 26.9 m -76.78 -35.04 23.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 64.42 111.095 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.41 ' HB3' ' HA ' ' A' ' 17' ' ' PRO . 49.9 tp -58.44 -44.5 89.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 73.21 110.93 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.707 ' CG2' HG22 ' A' ' 45' ' ' VAL . 13.2 mt -67.02 -42.55 88.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 74.52 111.14 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.617 HG22 HD11 ' A' ' 26' ' ' ILE . 25.5 m -52.35 -54.82 26.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 64.15 111.099 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.1 p -52.71 -42.87 65.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 52.04 110.867 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -61.48 -35.94 79.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 61.14 110.93 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.14 -29.9 54.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 74.01 111.104 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.617 HD11 HG22 ' A' ' 22' ' ' THR . 45.8 mt -76.73 -43.63 33.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 74.13 111.102 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 86.8 mt -65.12 -32.08 73.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 55.45 110.956 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.677 HG21 HD23 ' A' ' 41' ' ' LEU . 5.4 t -68.89 -50.16 56.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 65.21 111.088 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.542 ' HB3' HD11 ' A' ' 114' ' ' LEU . 6.3 m-85 -65.22 -20.64 66.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 73.51 110.87 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -77.68 -45.01 26.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.131 -0.486 . . . . 71.33 110.948 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 mp -89.95 160.71 40.15 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.608 0.718 . . . . 62.21 110.919 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 150.55 68.25 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.695 2.263 . . . . 42.2 112.352 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.2 t -79.51 152.44 30.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 61.14 110.884 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.54 -74.29 0.61 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.153 -0.476 . . . . 75.22 110.903 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 3.7 t -109.11 -11.61 14.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.224 -0.444 . . . . 71.51 110.873 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 134.41 38.4 0.2 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 64.41 112.514 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.79 -28.07 46.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.934 0.397 . . . . 64.03 110.922 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -65.62 -40.87 93.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 63.35 110.907 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.92 -42.32 70.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 71.41 110.917 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 69.9 p -60.57 -29.87 69.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 72.04 111.104 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.677 HD23 HG21 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -72.22 -41.37 66.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 74.43 110.896 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.9 t -53.84 -48.61 69.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 73.22 110.874 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 44.6 pt -71.66 -25.61 24.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 74.23 111.105 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.9 m -71.99 -54.55 9.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 64.34 110.878 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.707 HG22 ' CG2' ' A' ' 21' ' ' ILE . 27.5 t -51.67 -44.83 36.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 54.52 111.133 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 35.7 tp -67.52 -29.15 68.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.122 -0.49 . . . . 75.35 110.935 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.4 tp -55.66 -60.9 2.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 71.34 110.931 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.53 -43.52 72.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 60.4 111.045 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.635 HD21 ' CG2' ' A' ' 77' ' ' THR . 0.1 OUTLIER -54.51 -28.83 47.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 74.14 110.941 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.3 m -82.22 -34.34 28.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 74.32 111.16 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 91.5 t -51.84 -58.92 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 73.24 111.127 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.611 ' O ' HD12 ' A' ' 56' ' ' ILE . 34.1 m-85 -68.72 -41.79 78.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 70.32 110.886 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 41.4 tp -51.74 -37.33 50.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 62.23 110.895 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.1 tp -81.92 -32.74 30.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 73.11 110.959 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.454 ' O ' HD22 ' A' ' 55' ' ' LEU . 1.9 tm? -51.72 -52.33 49.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 54.54 110.95 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.632 HG23 ' HA ' ' A' ' 60' ' ' VAL . 4.5 mp -80.55 -25.53 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 71.13 111.123 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.6 t -51.65 -31.98 27.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 43.11 110.886 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.3 ttpt -94.99 -50.09 5.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 73.3 110.909 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 29.5 mm -151.0 134.28 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 74.45 111.117 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.632 ' HA ' HG23 ' A' ' 56' ' ' ILE . 3.1 m -51.18 156.34 1.92 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.596 0.712 . . . . 72.11 111.151 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 167.72 23.58 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.7 2.267 . . . . 55.34 112.391 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -9.96 27.41 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.682 2.255 . . . . 72.31 112.367 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.606 HG23 ' O ' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -54.43 -56.06 22.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 74.54 111.158 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.5 141.53 13.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.255 -0.429 . . . . 75.44 110.839 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.5 m -116.7 -5.89 11.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 65.02 110.879 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -107.42 -10.2 15.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.489 . . . . 75.45 110.892 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 83.6 p -171.84 70.13 0.46 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.635 0.731 . . . . 73.53 110.872 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 178.62 4.35 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.673 2.249 . . . . 74.15 112.346 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.8 m -145.59 24.83 1.37 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 63.43 110.882 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.2 p -56.12 -25.52 19.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.499 . . . . 71.4 111.128 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -76.34 -38.41 33.84 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.718 -0.753 . . . . 72.41 112.526 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -54.51 -55.57 27.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.847 0.356 . . . . 73.43 110.888 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -59.44 -47.79 84.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.487 . . . . 74.23 110.953 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.26 -31.29 63.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.09 -0.505 . . . . 63.14 110.913 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 1.8 tpp -63.36 -45.93 88.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 72.11 110.879 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -77.76 -36.95 50.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 72.33 110.831 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.635 ' CG2' HD21 ' A' ' 49' ' ' LEU . 59.9 m -64.74 -37.66 88.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 75.24 111.102 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.0 mmt -66.63 -49.88 64.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.273 -0.422 . . . . 73.14 110.891 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 17.6 t -53.48 -41.31 44.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 62.55 111.123 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.5 tp -74.61 -49.22 22.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 70.21 110.938 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 77' ' ' THR . 15.5 t -52.6 -49.03 46.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 72.1 111.158 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.2 m -54.65 -57.04 13.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 61.35 111.136 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.19 -26.03 62.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 74.41 110.88 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.4 t -71.76 -34.34 69.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 72.45 110.842 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 32.2 mm -69.73 -41.21 79.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.476 . . . . 75.23 111.12 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 74.8 t -63.95 -44.48 97.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 65.22 111.137 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.504 HG21 ' CE1' ' A' ' 113' ' ' PHE . 29.0 p -72.05 -29.6 64.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 75.04 111.151 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.41 -55.68 31.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 63.14 110.861 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 32.1 m -74.34 -22.76 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 64.32 111.105 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 35.2 t -60.82 -42.79 98.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 73.45 110.842 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.7 t -76.97 -43.76 32.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 42.12 111.135 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.1 tp -53.35 -52.7 58.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 63.11 110.907 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -131.19 129.01 41.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 54.22 110.878 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 11.0 p -86.42 144.53 9.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.162 -0.472 . . . . 52.14 111.129 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -120.36 179.23 4.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 72.5 110.857 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 62.79 163.83 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 74.22 110.879 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.05 124.15 0.74 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 63.43 110.872 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -140.78 160.53 58.32 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.625 0.726 . . . . 71.21 110.884 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -36.43 10.8 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.647 2.232 . . . . 74.01 112.341 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -133.72 151.36 51.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 74.43 110.841 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 39.7 p -107.26 151.48 25.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 73.32 111.172 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 -132.66 18.79 4.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 72.11 110.802 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 15.0 p -120.12 103.93 9.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 65.51 111.139 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 69.71 168.84 6.66 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.702 -0.761 . . . . 65.52 112.508 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -98.92 -58.08 0.95 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.761 -0.733 . . . . 52.03 112.487 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -103.79 -167.0 25.24 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.761 -0.733 . . . . 73.44 112.528 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -88.11 -149.21 17.46 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.733 -0.746 . . . . 72.23 112.454 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 96.87 8.3 57.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.72 -0.752 . . . . 75.53 112.518 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.435 HG23 ' N ' ' A' ' 110' ' ' ASP . 3.5 tp -50.88 -48.22 28.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.82 0.343 . . . . 53.53 111.104 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.436 ' O ' HD13 ' A' ' 114' ' ' LEU . 30.7 t70 -70.5 -21.0 62.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 51.32 110.886 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 5.1 mmt180 -75.31 -44.73 43.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 71.03 110.904 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -76.66 -41.69 44.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 70.33 110.912 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.504 ' CE1' HG21 ' A' ' 87' ' ' THR . 8.0 t80 -56.47 -38.3 71.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 71.52 110.867 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.657 ' O ' HG23 ' A' ' 118' ' ' VAL . 0.5 OUTLIER -68.09 -45.08 74.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 62.42 110.95 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -59.29 -50.95 72.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 72.21 110.885 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 33.0 pt -64.5 -23.04 32.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 72.34 111.098 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -74.48 -41.87 59.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 73.41 110.874 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 114' ' ' LEU . 8.5 t -69.88 -23.45 25.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 64.21 111.103 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -73.14 -57.05 4.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 62.32 110.904 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 2.7 p -53.73 -32.18 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 62.04 111.125 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 87.4 m -78.16 -54.17 6.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 74.14 110.873 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 11.5 t -54.0 -46.17 65.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 70.21 111.124 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -56.83 -50.12 73.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 72.22 110.874 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -64.55 -55.79 20.94 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.77 -0.729 . . . . 62.12 112.48 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.448 HG21 ' CG1' ' A' ' 19' ' ' VAL . 10.7 p -56.14 -63.05 1.31 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.794 0.331 . . . . 70.13 111.146 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.615 HG22 HD12 ' A' ' 130' ' ' LEU . 48.4 mm -55.73 -33.73 34.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 72.21 111.122 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -55.85 -53.01 44.93 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.756 -0.735 . . . . 63.55 112.43 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . 0.519 ' HG3' HD11 ' A' ' 15' ' ' ILE . 24.6 ptp -79.84 -29.55 40.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.8 0.333 . . . . 72.41 110.896 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.499 ' CD1' HG21 ' A' ' 15' ' ' ILE . 40.6 t80 -68.85 -14.61 63.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 71.05 110.874 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.615 HD12 HG22 ' A' ' 126' ' ' ILE . 0.1 OUTLIER -84.66 -0.1 52.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 53.44 110.901 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.604 ' CD ' HD11 ' A' ' 8' ' ' LEU . 2.5 tt0 -61.59 -58.53 17.83 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.57 0.7 . . . . 74.45 110.861 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.73 ' HG3' HD11 ' A' ' 12' ' ' ILE . 53.6 Cg_endo -69.75 150.95 68.93 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.687 2.258 . . . . 61.52 112.305 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -66.95 -26.26 66.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 74.11 110.912 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -166.84 175.62 7.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 74.1 110.865 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -55.58 -29.55 59.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 62.42 110.863 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 57.97 74.96 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 73.43 110.86 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 71.34 110.851 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 49.1 m-20 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.789 0.328 . . . . 74.14 110.844 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -168.66 100.9 0.4 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 64.15 111.093 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -99.44 7.29 45.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 70.11 110.897 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -112.39 -5.27 14.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 74.1 110.905 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.519 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 5.3 tt0 -59.95 -58.47 19.13 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.657 0.741 . . . . 72.41 110.895 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.7 Cg_endo -69.76 -24.53 29.55 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.679 2.252 . . . . 63.21 112.374 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.5 -25.81 68.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.175 -0.466 . . . . 73.11 110.918 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -68.45 -25.68 65.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 71.03 110.891 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -69.48 -60.75 2.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.504 . . . . 62.11 110.907 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.724 ' O ' HD12 ' A' ' 15' ' ' ILE . 4.2 t -52.71 -40.48 63.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 75.21 111.118 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.5 mt -57.66 -46.79 86.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 72.14 111.105 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.45 -14.6 63.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 74.35 110.868 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.404 HD11 HD11 ' A' ' 56' ' ' ILE . 0.3 OUTLIER -88.96 -23.49 22.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 72.34 110.936 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.724 HD12 ' O ' ' A' ' 11' ' ' THR . 1.2 mp -78.28 -33.35 17.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 75.12 111.175 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.53 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 1.2 mm -51.84 -57.5 14.57 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.596 0.713 . . . . 74.43 111.115 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.7 Cg_endo -69.73 -32.28 19.02 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.703 2.268 . . . . 60.03 112.346 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.1 t -52.29 -58.84 5.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 72.44 110.886 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.402 HG11 HG21 ' A' ' 125' ' ' THR . 29.2 m -66.54 -31.82 55.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 73.23 111.103 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.9 mt -63.76 -43.49 96.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 63.45 110.914 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 9.5 mt -61.49 -44.65 98.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 74.25 111.135 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -59.69 -49.06 79.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 73.01 111.129 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -34.61 58.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 53.05 110.86 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.657 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -61.66 -47.3 85.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 72.12 110.885 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.17 -35.55 81.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 44.13 111.119 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 22.6 mt -70.82 -45.49 73.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 61.13 111.149 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 35.9 mt -61.5 -27.55 68.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 63.13 110.877 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 24' ' ' LEU . 75.7 t -73.7 -46.58 47.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 74.44 111.096 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.629 ' HB2' HD21 ' A' ' 114' ' ' LEU . 21.3 m-85 -59.23 -33.34 70.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 75.44 110.898 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -80.74 -25.98 37.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.097 -0.501 . . . . 74.13 110.908 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.26 71.87 18.03 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.577 0.703 . . . . 64.41 110.947 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 119.31 6.28 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.67 2.247 . . . . 75.11 112.353 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 68.2 m -153.05 142.55 21.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 64.4 110.819 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.6 t0 63.13 167.68 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 71.24 110.877 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -101.14 -21.84 14.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 71.52 110.883 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.11 10.99 69.75 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 53.05 112.532 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -83.37 -44.96 14.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.934 0.397 . . . . 73.23 110.911 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.73 -32.22 59.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 55.22 110.861 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.564 ' O ' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -70.15 -58.9 3.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 70.12 110.907 179.874 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.99 -25.05 64.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 64.53 111.123 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.418 HD22 HG21 ' A' ' 28' ' ' VAL . 10.4 tp -64.45 -55.84 18.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.281 -0.418 . . . . 53.23 110.89 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.8 t -53.14 -41.85 65.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 72.21 110.881 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.564 HD12 ' O ' ' A' ' 39' ' ' MET . 3.6 mt -70.46 -42.58 78.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 51.21 111.119 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.48 -60.1 4.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.142 -0.481 . . . . 71.54 110.875 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 24.2 t -52.19 -36.79 21.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.501 . . . . 73.44 111.139 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.3 mt -59.67 -44.95 93.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 71.24 110.887 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.2 tt -59.84 -52.61 64.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 75.54 110.915 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.79 -36.36 72.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 40.31 111.094 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -73.39 -36.12 66.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 44.03 110.897 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 30.9 m -67.93 -37.6 81.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 72.34 111.119 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 23.3 t -63.71 -42.17 95.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 71.13 111.101 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.686 ' O ' HD12 ' A' ' 56' ' ' ILE . 5.4 m-85 -75.13 -38.51 61.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 63.44 110.862 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.3 tt -64.41 -58.43 6.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 70.5 110.883 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 18.8 mt -53.2 -37.55 62.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 62.11 110.956 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.3 tt -54.42 -53.37 54.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 72.32 110.887 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.686 HD12 ' O ' ' A' ' 52' ' ' PHE . 2.2 mp -64.21 -37.04 78.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 63.23 111.152 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.0 t -66.95 -25.01 66.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 63.34 110.86 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.59 -9.98 36.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.493 . . . . 74.13 110.905 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.685 HG22 ' HD3' ' A' ' 61' ' ' PRO . 22.5 mm 65.92 111.9 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 65.02 111.172 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.9 t -140.45 70.23 32.42 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.609 0.719 . . . . 64.23 111.078 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.685 ' HD3' HG22 ' A' ' 59' ' ' ILE . 53.4 Cg_endo -69.81 167.74 23.63 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.684 2.256 . . . . 73.4 112.338 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -44.6 1.99 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.684 2.256 . . . . 65.01 112.324 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -176.36 -37.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 74.11 111.159 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 88.5 p -123.43 131.07 53.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 75.5 110.863 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.1 p -132.9 165.03 25.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 70.24 110.852 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -177.4 -42.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 71.22 110.878 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 43.6 m -149.83 71.35 9.58 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.694 0.759 . . . . 62.32 110.854 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 163.55 37.86 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.709 2.273 . . . . 60.03 112.345 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.2 t -124.69 20.32 8.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 75.2 110.894 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 22.1 m -69.3 -30.14 44.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 74.33 111.166 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -67.81 -33.97 81.48 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.711 -0.757 . . . . 75.12 112.514 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -68.96 -63.54 1.04 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.895 0.378 . . . . 74.3 110.933 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -52.85 -42.84 65.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 53.03 110.909 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 58.4 tp -59.74 -35.13 73.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.481 . . . . 71.53 110.934 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -50.47 73.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 73.34 110.925 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -72.8 -22.94 60.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 74.31 110.895 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.9 m -76.73 -42.92 39.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 74.23 111.117 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -38.83 92.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 71.21 110.9 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 3.4 t -61.29 -54.67 31.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 75.43 111.147 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -50.64 69.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 71.31 110.912 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 26.4 t -54.93 -40.46 53.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 75.41 111.116 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.537 ' O ' HG23 ' A' ' 86' ' ' VAL . 1.8 m -61.6 -34.49 75.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 54.32 111.137 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.28 -52.65 64.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 72.2 110.9 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.5 -49.85 63.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 75.01 110.842 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.497 ' O ' HG23 ' A' ' 89' ' ' VAL . 48.0 mm -60.48 -36.53 70.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 74.24 111.103 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 82' ' ' THR . 36.1 t -64.37 -36.07 76.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 74.22 111.122 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 7.3 m -71.76 -38.3 70.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 72.32 111.137 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.9 p -73.47 -36.62 65.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 75.02 110.865 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 85' ' ' ILE . 39.6 t -65.71 -31.03 51.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 71.5 111.116 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.66 -36.3 23.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.166 -0.47 . . . . 55.21 110.878 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.2 t -73.54 -44.13 54.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 61.11 111.093 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.7 tp -56.2 -57.71 11.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 54.14 110.9 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -151.14 149.5 29.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 62.2 110.881 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 1.4 p -160.02 158.25 2.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 61.24 111.142 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 43.5 m80 -150.44 97.23 2.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 73.01 110.909 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 26.9 t60 -160.15 90.82 0.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 73.23 110.826 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 8.3 mtt-85 -86.81 130.16 34.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 63.55 110.834 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.24 160.56 30.8 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.655 0.741 . . . . 75.11 110.876 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -42.29 3.55 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.645 2.23 . . . . 72.34 112.331 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -128.74 132.92 47.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 73.11 110.879 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 39.2 p -120.3 161.85 20.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 65.34 111.129 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -66.72 118.76 10.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 72.24 110.883 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.18 126.81 28.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 75.25 111.175 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -174.76 73.57 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.71 -0.757 . . . . 74.3 112.46 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -179.91 -42.97 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.722 -0.751 . . . . 73.44 112.45 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 82.99 33.91 22.65 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.705 -0.759 . . . . 72.24 112.531 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 99.9 -177.4 29.04 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.709 -0.758 . . . . 62.0 112.505 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 64.72 18.34 63.82 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.766 -0.73 . . . . 34.42 112.456 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.17 -35.98 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.824 0.345 . . . . 71.3 111.152 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -70.52 -49.01 52.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.471 . . . . 35.14 110.862 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.0 -31.18 60.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 75.42 110.807 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.99 -50.94 52.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 65.32 110.928 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.1 -24.56 65.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 72.45 110.878 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.629 HD21 ' HB2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -68.2 -43.03 78.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 71.41 110.947 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 9.3 t90 -80.28 -42.51 22.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.904 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 1.1 tt -56.25 -24.73 18.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.284 -0.416 . . . . 54.02 111.185 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.13 -59.01 2.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 71.51 110.884 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.605 ' O ' HG23 ' A' ' 122' ' ' VAL . 40.2 t -51.72 -29.95 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 71.53 111.175 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -69.8 -58.5 3.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 62.34 110.891 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 13.5 p -63.26 -28.0 44.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 73.53 111.107 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -73.63 -34.65 65.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 53.11 110.915 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 118' ' ' VAL . 5.3 t -64.19 -57.64 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 43.54 111.124 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -67.85 -26.97 66.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 63.42 110.874 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -72.74 -54.07 7.7 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.745 -0.741 . . . . 74.21 112.456 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.402 HG21 HG11 ' A' ' 19' ' ' VAL . 2.3 m -67.11 -59.28 3.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.727 0.299 . . . . 73.53 111.12 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.667 HG22 HD12 ' A' ' 130' ' ' LEU . 96.5 mt -56.05 -32.65 34.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 64.13 111.139 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -56.26 -60.24 9.28 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.773 -0.727 . . . . 62.43 112.443 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 18.4 ptp -74.57 -27.75 60.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.831 0.348 . . . . 74.31 110.87 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -72.14 -14.97 61.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 62.42 110.86 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.667 HD12 HG22 ' A' ' 126' ' ' ILE . 0.9 OUTLIER -85.16 -4.17 59.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 54.44 110.909 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.515 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 0.8 OUTLIER -51.28 -58.61 10.0 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.592 0.71 . . . . 72.15 110.887 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 131' ' ' GLN . 54.3 Cg_endo -69.73 154.06 68.33 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.694 2.263 . . . . 73.04 112.371 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.796 HD21 ' HB2' ' A' ' 136' ' ' GLU . 1.6 pt? -85.08 -26.63 26.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 74.4 110.977 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 180.0 -77.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 64.22 110.91 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -117.29 -28.05 6.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 71.04 110.868 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . 0.796 ' HB2' HD21 ' A' ' 133' ' ' LEU . 28.7 mm-40 -83.12 55.73 3.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 71.13 110.892 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 75.44 110.904 -179.941 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.798 0.332 . . . . 64.2 110.875 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.22 108.42 0.69 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 33.24 111.149 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -110.89 25.81 11.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 70.52 110.903 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 54.98 90.91 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 73.45 110.888 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.503 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 5.9 tt0 178.56 -59.2 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.63 0.729 . . . . 74.0 110.878 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.9 Cg_endo -69.78 -22.72 31.58 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.681 2.254 . . . . 75.41 112.375 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.506 HD21 ' HB3' ' A' ' 132' ' ' PRO . 0.3 OUTLIER -71.51 -38.49 71.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 70.23 110.914 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -82.18 -22.16 36.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 71.41 110.851 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -71.32 -53.39 14.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 72.35 110.915 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.6 t -52.09 -40.58 61.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 54.41 111.162 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 69.6 mt -66.38 -34.41 69.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 74.11 111.14 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -74.18 -14.23 60.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 72.52 110.896 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -88.94 -27.05 21.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 64.44 110.895 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.458 ' O ' HG22 ' A' ' 19' ' ' VAL . 49.0 mm -79.35 -30.42 13.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 74.54 111.152 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.536 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 1.4 mm -52.13 -57.44 15.17 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.63 0.728 . . . . 74.41 111.144 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.2 Cg_endo -69.84 -37.73 8.59 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.644 2.229 . . . . 63.41 112.348 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -52.47 -58.87 5.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 74.1 110.88 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 15' ' ' ILE . 32.7 m -68.14 -23.06 28.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 74.31 111.146 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.3 mt -68.64 -56.36 8.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 73.13 110.879 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 32.0 mm -53.65 -46.91 61.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 73.13 111.128 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 91.7 m -52.72 -51.82 58.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 74.34 111.127 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 p -53.59 -38.7 64.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 61.31 110.894 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.487 ' O ' HD23 ' A' ' 24' ' ' LEU . 2.7 tt -55.03 -43.54 73.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.102 -0.499 . . . . 62.34 110.913 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.405 ' HA ' HD11 ' A' ' 41' ' ' LEU . . . -67.11 -30.72 70.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 62.25 111.126 179.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.552 HD13 HG22 ' A' ' 118' ' ' VAL . 96.3 mt -75.01 -42.24 45.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 72.04 111.131 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.05 -32.84 70.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 54.41 110.939 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 49.6 t -75.34 -50.96 22.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 74.13 111.128 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -61.11 -28.8 69.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 74.21 110.864 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -81.96 -45.31 15.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 52.45 110.933 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.4 mp -124.41 70.38 54.44 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.58 0.705 . . . . 72.12 110.869 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 119.11 6.11 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.714 2.276 . . . . 61.35 112.307 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.77 -19.66 15.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 61.33 110.891 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -130.15 176.02 8.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.118 -0.492 . . . . 71.13 110.882 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 61.9 m -110.69 -19.78 12.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 75.44 110.888 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -106.77 -1.96 36.88 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.765 -0.731 . . . . 70.23 112.498 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -65.01 -32.24 73.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.904 0.383 . . . . 74.35 110.884 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.07 -55.19 33.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 72.21 110.886 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.99 -49.8 70.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 74.23 110.864 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 16.8 m -56.35 -31.06 63.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 73.21 111.129 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.405 HD11 ' HA ' ' A' ' 25' ' ' ALA . 2.7 tt -70.7 -44.09 67.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 72.11 110.878 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -52.04 -41.34 62.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.226 -0.443 . . . . 72.35 110.89 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 25.0 mm -73.45 -27.95 24.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 73.24 111.165 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.65 -59.42 3.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 73.21 110.861 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.7 p -54.78 -32.93 26.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 73.03 111.097 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.7 tp -64.65 -44.0 91.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 71.13 110.925 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.57 -39.47 80.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 60.21 110.874 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.31 -48.48 78.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 25.04 111.081 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.76 -37.21 70.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 63.15 110.945 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.09 -44.88 75.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 72.31 111.151 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.516 HG12 HD12 ' A' ' 55' ' ' LEU . 37.6 t -58.29 -36.68 59.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 72.33 111.116 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.697 ' O ' HD12 ' A' ' 56' ' ' ILE . 19.9 m-85 -66.61 -45.68 78.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 72.31 110.888 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.91 -59.09 4.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 73.21 110.94 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 22.2 tp -60.66 -33.56 73.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 74.4 110.946 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.516 HD12 HG12 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -50.29 -66.23 0.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 70.54 110.931 179.866 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.876 HG21 HG21 ' A' ' 70' ' ' VAL . 2.0 mp -68.74 -27.0 34.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 70.12 111.115 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.7 t -48.68 -33.54 10.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 72.23 110.864 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.435 ' HG3' HD12 ' A' ' 59' ' ' ILE . 16.6 ptpt -95.56 -26.9 15.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 74.24 110.91 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.435 HD12 ' HG3' ' A' ' 58' ' ' LYS . 4.0 mt -132.42 100.77 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 62.4 111.163 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.643 HG12 HG22 ' A' ' 56' ' ' ILE . 6.8 m -105.83 155.23 38.62 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.641 0.734 . . . . 75.33 111.119 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 167.79 23.47 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.688 2.259 . . . . 61.42 112.366 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -24.85 29.08 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.665 2.243 . . . . 72.21 112.308 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 56.9 p -77.39 78.1 3.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 72.04 111.192 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.5 p -109.87 23.36 14.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 53.42 110.837 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.1 p -124.02 -62.49 1.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 72.23 110.871 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -138.24 157.27 46.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 73.21 110.869 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.9 t 52.46 73.06 1.01 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.64 0.733 . . . . 73.04 110.856 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -177.92 2.11 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.663 2.242 . . . . 73.2 112.371 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.6 m -139.31 -74.35 0.37 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 42.53 110.887 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.876 HG21 HG21 ' A' ' 56' ' ' ILE . 35.8 m -56.81 -31.49 35.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 73.43 111.121 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.3 -35.49 23.32 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.707 -0.758 . . . . 71.25 112.524 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.71 -48.52 81.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.894 0.378 . . . . 64.11 110.897 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -66.62 -43.48 84.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 75.1 110.924 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.28 -47.95 65.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.116 -0.493 . . . . 64.02 110.908 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 5.0 tmm? -55.67 -48.84 74.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 71.51 110.912 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -67.18 -26.11 66.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 75.33 110.865 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.3 m -72.2 -46.07 57.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 74.22 111.109 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -58.88 -36.81 75.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 63.03 110.877 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 39.1 t -63.3 -62.21 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 71.41 111.158 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.99 -44.87 83.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 62.43 110.95 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 5.8 t -54.23 -47.31 68.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 75.22 111.133 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 23.8 m -53.74 -44.89 70.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 55.32 111.184 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -61.45 -35.65 78.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 73.04 110.853 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.5 t -61.94 -37.86 86.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 64.33 110.851 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 25.7 mm -65.59 -47.4 86.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 60.3 111.15 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 76.5 t -55.28 -37.26 43.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 54.1 111.135 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.451 ' O ' HG23 ' A' ' 91' ' ' VAL . 54.2 m -72.64 -24.82 61.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 52.14 111.149 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.6 m -63.68 -59.27 4.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 61.4 110.897 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 41.8 t -65.12 -40.41 88.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 72.52 111.129 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 8.5 m -55.27 -50.33 69.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 73.15 110.891 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 87' ' ' THR . 38.2 t -58.06 -40.02 75.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 53.14 111.127 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.7 mt -68.89 -34.7 75.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 63.42 110.9 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -156.4 126.38 6.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 64.01 110.9 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 6.4 p -122.71 138.36 53.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 70.1 111.112 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -145.05 175.84 9.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 73.31 110.891 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 58.42 85.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 73.24 110.888 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.22 141.84 22.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 63.5 110.898 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.98 160.55 65.81 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.657 0.741 . . . . 62.24 110.904 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -39.52 6.47 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.676 2.25 . . . . 63.32 112.341 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 61.16 98.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.438 . . . . 62.25 110.903 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.9 p -75.89 -42.29 49.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 61.4 111.122 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -99.35 122.74 42.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 75.34 110.869 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.05 173.12 10.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 55.43 111.139 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 75.55 112.05 0.11 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.799 -0.715 . . . . 54.51 112.448 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -169.58 -160.74 18.55 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.713 -0.756 . . . . 74.21 112.443 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 177.82 179.05 47.79 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 72.54 112.462 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -62.55 175.8 7.12 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.773 -0.727 . . . . 43.53 112.465 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 106.47 12.27 25.29 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.772 -0.727 . . . . 53.12 112.466 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.17 -35.99 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.818 0.342 . . . . 74.41 111.12 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.2 -47.36 77.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 72.32 110.865 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.53 -31.94 73.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 74.32 110.876 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.61 -56.21 13.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 73.4 110.908 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -59.06 -31.89 69.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 62.25 110.883 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -72.25 -49.42 35.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 64.42 110.928 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -54.54 -48.09 72.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 75.23 110.915 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 47.6 pt -66.95 -23.59 31.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 52.4 111.124 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.98 -41.11 87.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 71.53 110.837 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.552 HG22 HD13 ' A' ' 26' ' ' ILE . 22.3 t -69.66 -36.17 69.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 63.44 111.103 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -58.86 -58.83 6.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 62.22 110.903 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.9 p -59.4 -31.79 47.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 74.44 111.153 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.99 -49.22 62.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 74.24 110.87 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.7 t -66.61 -56.4 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 73.24 111.133 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -55.17 -52.32 63.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 75.4 110.896 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -57.45 -52.95 48.65 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.726 -0.75 . . . . 74.34 112.492 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.6 m -56.55 -46.73 80.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.756 0.312 . . . . 52.01 111.107 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 38.3 mt -62.45 -32.25 54.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 74.01 111.099 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -61.83 -53.37 43.76 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.759 -0.734 . . . . 64.31 112.451 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 21.9 ptp -74.79 -31.07 61.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.837 0.351 . . . . 54.43 110.877 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -67.62 -18.71 65.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 75.41 110.888 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.44 2.6 43.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.506 . . . . 74.03 110.946 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.527 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 1.8 tt0 -55.6 -58.45 15.53 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.603 0.716 . . . . 73.13 110.899 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 131' ' ' GLN . 53.5 Cg_endo -69.73 150.93 69.03 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.691 2.26 . . . . 61.14 112.359 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -66.95 -26.31 66.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 60.34 110.914 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -172.44 -179.0 2.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 54.23 110.892 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -66.86 -23.01 65.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 72.1 110.9 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 52.56 59.99 4.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.445 . . . . 75.14 110.843 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 74.43 110.869 -179.937 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.85 0.357 . . . . 71.34 110.879 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -156.44 70.44 0.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 75.12 111.089 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -97.29 16.32 20.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 71.54 110.861 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 55.43 29.56 13.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 55.14 110.929 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.531 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 3.4 tt0 -64.63 -58.41 13.51 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.623 0.725 . . . . 73.53 110.908 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.3 Cg_endo -69.77 -22.27 32.26 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.714 2.276 . . . . 70.23 112.343 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.85 -45.54 70.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 62.42 110.886 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.27 -22.63 61.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 73.41 110.865 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -74.58 -58.05 3.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 71.22 110.895 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.0 t -52.06 -41.02 62.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 72.32 111.122 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.543 HD11 ' HG3' ' A' ' 132' ' ' PRO . 18.0 mm -62.65 -38.59 81.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 73.2 111.112 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.15 -16.06 63.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 61.34 110.874 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.8 -23.68 22.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 75.41 110.908 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.456 HG23 HG23 ' A' ' 125' ' ' THR . 46.8 mm -78.75 -32.32 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 65.3 111.129 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.541 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 1.6 mt -52.34 -57.53 15.1 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.662 0.744 . . . . 74.03 111.148 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.9 Cg_endo -69.75 -33.49 16.5 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.665 2.243 . . . . 71.55 112.374 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 44.5 t -53.73 -58.46 7.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 71.11 110.888 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.8 t -65.33 -41.87 92.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.214 -0.448 . . . . 71.11 111.171 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.3 mt -56.23 -43.61 78.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 63.33 110.886 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.448 HG21 HG23 ' A' ' 45' ' ' VAL . 7.3 mt -59.52 -48.0 88.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 71.44 111.12 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.7 m -56.4 -47.85 78.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.135 -0.484 . . . . 54.1 111.163 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.06 -38.96 62.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 41.45 110.882 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.06 -48.14 79.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.119 -0.491 . . . . 64.44 110.886 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.3 -34.21 76.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 44.14 111.14 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 55.3 mt -73.13 -43.81 57.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 74.4 111.113 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.3 mt -60.91 -31.43 70.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 62.53 110.867 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 42.1 t -71.84 -37.28 61.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 74.23 111.152 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -65.86 -41.14 92.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 74.31 110.895 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -78.18 -34.47 49.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 74.13 110.928 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -130.05 72.04 82.03 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.592 0.711 . . . . 63.44 110.866 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 100.48 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.7 2.267 . . . . 74.42 112.334 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.89 119.44 37.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 63.14 110.844 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 61.08 174.08 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 74.1 110.878 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.0 m -104.55 -14.11 15.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 64.45 110.865 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -82.67 -10.06 83.79 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.765 -0.731 . . . . 51.21 112.486 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.56 -26.2 41.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.908 0.385 . . . . 65.11 110.896 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -68.17 -58.92 3.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.477 . . . . 70.02 110.872 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.03 -43.72 86.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 71.22 110.892 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 6.5 m -61.14 -39.02 88.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 40.2 111.11 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 tp -62.93 -50.13 72.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 63.31 110.926 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.4 t -54.51 -37.12 64.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 55.5 110.915 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 43.7 mt -75.16 -30.46 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 71.52 111.119 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.82 -54.28 12.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 64.01 110.867 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.448 HG23 HG21 ' A' ' 21' ' ' ILE . 7.2 p -61.98 -32.76 55.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 62.03 111.155 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.7 tt -68.86 -50.26 51.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 65.22 110.965 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 17.8 tp -58.69 -39.55 81.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 73.52 110.881 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.58 -54.68 33.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 71.21 111.071 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.596 HD11 ' CG2' ' A' ' 77' ' ' THR . 0.2 OUTLIER -55.19 -34.97 64.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 63.33 110.898 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.4 m -70.62 -38.68 73.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 62.45 111.106 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.2 t -58.92 -44.33 90.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 55.42 111.098 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.657 ' O ' HD12 ' A' ' 56' ' ' ILE . 17.9 m-85 -63.33 -42.71 98.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 71.02 110.927 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.66 -59.28 4.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 72.25 110.929 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.75 -37.47 59.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 74.12 110.914 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 tt -49.76 -66.23 0.43 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 64.13 110.919 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.848 HG21 HG21 ' A' ' 70' ' ' VAL . 1.8 mp -71.35 -20.69 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 75.03 111.101 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.0 t -48.14 -41.3 26.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 73.21 110.794 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.55 -21.88 17.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 74.43 110.896 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 26.0 mm -98.07 66.83 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 71.01 111.126 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 58.1 t -113.45 74.2 2.13 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.572 0.701 . . . . 64.11 111.089 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 167.75 23.58 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.677 2.251 . . . . 64.32 112.34 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -13.24 34.38 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.72 2.28 . . . . 55.13 112.356 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.2 p -66.01 -19.23 65.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 72.12 111.143 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.1 m -91.31 -4.18 56.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 75.31 110.851 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 69.1 m -54.18 -44.56 71.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 50.23 110.851 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.21 116.16 26.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 71.22 110.879 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.8 t 63.02 70.88 0.7 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.642 0.734 . . . . 30.42 110.832 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 150.69 68.51 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.692 2.261 . . . . 73.24 112.333 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.29 -53.28 2.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 72.12 110.824 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.848 HG21 HG21 ' A' ' 56' ' ' ILE . 34.8 m -57.44 -30.24 35.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 72.23 111.107 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -79.77 -32.97 35.25 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.699 -0.763 . . . . 71.31 112.487 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.86 -54.62 32.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.881 0.372 . . . . 74.42 110.944 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -65.36 -34.63 78.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 74.34 110.891 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.8 tp -63.82 -42.15 97.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.482 . . . . 62.51 110.857 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 44.6 ttm -57.5 -47.49 81.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 63.13 110.859 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -73.46 -25.05 60.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 73.15 110.886 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.596 ' CG2' HD11 ' A' ' 49' ' ' LEU . 2.9 m -71.89 -50.55 28.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.116 -0.493 . . . . 62.1 111.105 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -57.01 -43.1 81.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 54.14 110.899 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.9 t -54.13 -62.86 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 64.04 111.144 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.94 -38.23 78.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 65.45 110.92 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.504 HG21 ' HG ' ' A' ' 49' ' ' LEU . 5.3 t -57.97 -55.54 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 60.34 111.086 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.2 m -52.65 -31.7 38.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 73.03 111.159 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -70.7 -44.55 66.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 74.44 110.865 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.28 -30.09 66.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 74.2 110.868 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 43.0 mm -76.08 -40.22 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 75.0 111.143 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 28.0 t -53.64 -50.29 51.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 72.05 111.124 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.7 p -66.06 -37.12 85.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 72.21 111.132 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.57 -48.19 69.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 75.51 110.868 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 51.9 t -70.68 -31.64 46.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 73.12 111.146 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.24 -44.9 78.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 73.43 110.913 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.4 p -79.06 -19.15 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 64.24 111.108 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.7 mt -76.75 -60.08 2.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 72.21 110.898 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -105.13 142.49 34.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 74.44 110.909 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.1 p -153.67 139.79 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 72.03 111.121 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -125.53 56.19 1.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 71.43 110.864 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 20.4 m80 62.92 171.13 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 63.32 110.854 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.28 174.62 3.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 73.33 110.868 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.72 160.5 71.86 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.62 0.724 . . . . 75.35 110.902 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -33.07 17.45 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.686 2.258 . . . . 72.0 112.355 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -101.66 140.19 36.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 64.4 110.873 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 61.8 p -86.31 85.42 7.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 63.54 111.133 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 43.7 m170 -73.86 177.68 5.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 64.31 110.881 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.68 94.34 1.01 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.261 -0.427 . . . . 74.34 111.126 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -77.88 -79.36 0.74 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.761 -0.733 . . . . 74.53 112.493 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 132.91 -38.27 1.89 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.779 -0.724 . . . . 53.25 112.465 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 151.24 -122.79 1.4 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.727 -0.749 . . . . 72.23 112.466 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -140.82 -179.68 18.45 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.783 -0.723 . . . . 54.11 112.533 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 90.18 6.48 68.94 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.704 -0.76 . . . . 25.23 112.496 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.16 -36.02 16.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.774 0.321 . . . . 61.13 111.101 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -69.87 -53.18 19.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 63.21 110.872 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -28.72 65.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 63.53 110.87 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.26 -54.56 23.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 73.21 110.912 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -54.38 -27.44 36.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 63.34 110.888 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.8 mp -67.93 -42.59 80.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 71.54 110.938 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 32.8 t-105 -79.86 -42.32 24.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 71.4 110.902 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -56.15 -24.96 18.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 75.14 111.068 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.15 -63.57 1.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 64.05 110.872 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 52.6 t -54.48 -27.28 17.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 71.14 111.173 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -69.48 -57.08 5.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 74.13 110.906 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 14.3 p -66.87 -27.06 38.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 73.54 111.168 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 68.6 m -76.33 -53.44 8.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 73.34 110.847 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 10.5 t -55.02 -39.34 49.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 65.22 111.132 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -65.81 -59.07 4.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 74.21 110.876 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -56.38 -50.75 60.54 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 74.2 112.475 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.456 HG23 HG23 ' A' ' 15' ' ' ILE . 97.6 m -57.97 -62.66 1.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.773 0.32 . . . . 60.02 111.145 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 17.1 mm -53.87 -28.46 16.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 73.31 111.101 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -56.36 -56.72 22.95 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.718 -0.753 . . . . 72.33 112.511 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 2.3 ptt? -83.1 -22.54 33.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.791 0.329 . . . . 73.14 110.839 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -76.9 -16.33 59.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 65.54 110.859 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.49 -9.09 59.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 71.31 110.885 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.528 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 2.1 tt0 -59.34 -58.42 19.61 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.58 0.705 . . . . 61.04 110.925 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.543 ' HG3' HD11 ' A' ' 12' ' ' ILE . 53.4 Cg_endo -69.79 150.94 68.69 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.665 2.243 . . . . 72.21 112.367 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -66.86 -26.37 66.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.236 -0.438 . . . . 63.13 110.899 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -169.97 -178.79 3.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 70.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -64.79 -20.1 66.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 73.14 110.918 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 56.1 72.72 0.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 72.1 110.903 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 72.41 110.919 -179.963 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.83 0.348 . . . . 65.32 110.902 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.522 ' HB3' ' HB2' ' A' ' 137' ' ' GLU . . . -104.36 170.09 8.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 74.34 111.092 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -128.74 50.38 2.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 70.51 110.904 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 62.86 104.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 74.14 110.912 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.506 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 4.8 tt0 178.57 -59.26 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.62 0.724 . . . . 64.45 110.818 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.7 Cg_endo -69.74 -26.24 27.85 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.708 2.272 . . . . 74.32 112.32 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.698 HD23 HD11 ' A' ' 12' ' ' ILE . 0.3 OUTLIER -69.7 -15.17 63.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 75.33 110.926 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -61.99 -20.01 63.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 73.01 110.927 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.52 ' HE2' HD23 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -75.41 -61.02 2.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 65.4 110.895 -179.866 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.1 t -52.32 -37.26 55.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 50.51 111.147 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.698 HD11 HD23 ' A' ' 8' ' ' LEU . 84.7 mt -64.08 -40.99 91.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 71.52 111.123 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -71.3 -11.83 61.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 63.32 110.909 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.04 -27.81 20.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 70.21 110.892 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.9 mm -79.32 -30.4 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 72.5 111.086 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.541 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 1.4 mm -51.8 -57.51 14.49 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.598 0.714 . . . . 63.11 111.089 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.8 Cg_endo -69.73 -38.29 8.08 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.673 2.248 . . . . 74.14 112.34 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.7 t -52.1 -58.86 5.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 52.34 110.889 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.803 HG22 HG21 ' A' ' 125' ' ' THR . 24.7 t -61.78 -46.15 97.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 74.11 111.114 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.83 -42.99 69.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 74.42 110.942 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.771 HG23 HG22 ' A' ' 45' ' ' VAL . 4.5 mt -54.88 -48.93 73.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 63.3 111.101 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.43 HG23 ' CD2' ' A' ' 117' ' ' PHE . 41.8 m -54.4 -55.02 32.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 71.04 111.094 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.24 -40.69 61.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 63.55 110.865 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.9 -37.5 66.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 73.24 110.911 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.0 -24.97 60.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 75.42 111.133 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.72 HG23 HD11 ' A' ' 114' ' ' LEU . 77.7 mt -84.06 -58.62 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 75.41 111.097 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.17 -29.85 34.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.474 . . . . 62.03 110.863 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.477 HG21 ' HB2' ' A' ' 41' ' ' LEU . 8.4 t -80.18 -43.27 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 72.41 111.102 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -71.4 -16.96 62.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 73.31 110.885 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -90.56 -28.01 18.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 64.32 110.911 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.3 73.36 67.08 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.556 0.693 . . . . 64.13 110.918 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 81.1 0.84 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.641 2.227 . . . . 63.44 112.354 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.1 m -74.3 165.1 25.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 75.21 110.897 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.67 9.88 28.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 75.45 110.851 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 97.2 m -87.98 5.75 39.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 63.05 110.91 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 77.7 27.1 59.53 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.743 -0.742 . . . . 73.15 112.5 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.462 ' HG2' HG22 ' A' ' 28' ' ' VAL . 3.7 tt0 -62.82 -26.35 68.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.938 0.399 . . . . 73.32 110.895 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm -62.68 -54.38 40.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 72.15 110.896 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 20.8 mtt -56.81 -44.9 82.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 75.12 110.859 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 42.0 m -56.63 -41.34 76.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 73.41 111.158 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.477 ' HB2' HG21 ' A' ' 28' ' ' VAL . 1.6 tm? -56.11 -58.09 9.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 74.3 110.907 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.402 ' N ' HD13 ' A' ' 41' ' ' LEU . 1.6 t -53.64 -34.64 59.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 53.44 110.878 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 31.4 mt -72.6 -31.81 38.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 75.34 111.154 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 t -68.48 -51.23 45.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.468 . . . . 73.03 110.852 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.771 HG22 HG23 ' A' ' 21' ' ' ILE . 5.9 t -57.29 -39.53 68.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 71.54 111.155 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.8 tp -67.52 -55.88 11.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.176 -0.465 . . . . 71.31 110.9 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.67 -34.99 60.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 61.32 110.931 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.549 ' HB1' HD11 ' A' ' 21' ' ' ILE . . . -63.75 -37.69 88.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 45.31 111.063 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 32.4 tp -60.22 -50.24 74.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 74.1 110.94 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.3 m -57.77 -40.61 80.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 71.32 111.142 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.5 t -58.91 -39.46 77.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 73.53 111.156 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.664 ' O ' HD12 ' A' ' 56' ' ' ILE . 17.5 m-85 -61.99 -43.06 99.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 63.54 110.852 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.4 mt -51.77 -59.07 4.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 71.54 110.884 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.2 tp -55.84 -33.86 64.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 63.04 110.94 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.52 HD23 ' HE2' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -51.71 -63.64 1.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 75.23 110.899 179.896 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.712 HG21 HG11 ' A' ' 70' ' ' VAL . 2.0 mp -74.4 -25.54 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 71.52 111.115 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.2 t -52.1 -30.11 24.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 55.31 110.805 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.526 ' CG ' HD12 ' A' ' 59' ' ' ILE . 1.2 tppp? -93.82 -50.18 5.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 72.44 110.875 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.526 HD12 ' CG ' ' A' ' 58' ' ' LYS . 3.3 mp -150.21 133.93 8.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 74.21 111.11 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.559 ' HA ' HG23 ' A' ' 56' ' ' ILE . 0.9 OUTLIER -88.91 154.91 50.14 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.602 0.715 . . . . 64.51 111.113 179.872 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 167.72 23.61 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.641 2.227 . . . . 62.14 112.391 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -11.1 30.13 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.681 2.254 . . . . 70.04 112.335 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 67.6 p -57.22 -25.04 58.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 74.34 111.139 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.63 136.15 34.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 74.25 110.886 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.8 t -170.1 -51.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 65.42 110.817 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -103.16 -54.82 2.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 64.24 110.841 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -123.03 160.56 49.04 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.659 0.742 . . . . 73.4 110.829 -179.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 129.94 18.48 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.697 2.265 . . . . 71.51 112.34 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.3 t -111.68 -33.8 6.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 65.55 110.842 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.712 HG11 HG21 ' A' ' 56' ' ' ILE . 20.5 m -58.76 -33.65 49.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 64.23 111.124 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -74.09 -47.59 18.05 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.776 -0.726 . . . . 53.31 112.482 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -60.8 -39.51 89.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.88 0.371 . . . . 72.43 110.888 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -61.46 -40.83 95.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 71.24 110.898 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.53 -40.04 70.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.131 -0.486 . . . . 74.35 110.89 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 6.9 ttm -54.24 -56.36 19.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 70.21 110.885 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -63.92 -34.87 78.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 64.21 110.881 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 18.0 m -63.81 -39.79 95.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 71.14 111.132 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.5 mmt -70.32 -30.68 67.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 74.02 110.809 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 10.7 t -67.97 -54.02 25.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 71.22 111.097 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.51 -47.74 80.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 73.43 110.904 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.6 t -51.91 -53.03 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 74.24 111.11 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 97.8 m -51.82 -36.73 49.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 74.43 111.146 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -72.28 -38.74 68.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 74.05 110.879 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.35 -39.63 92.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 62.34 110.876 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 15.8 mm -66.29 -43.31 91.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 72.11 111.138 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 3.8 t -52.72 -43.37 44.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 74.44 111.113 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.62 -29.12 59.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 65.44 111.134 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.84 -56.85 16.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 72.51 110.857 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 14.3 m -69.17 -23.25 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 71.14 111.124 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -67.36 -29.0 68.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 71.44 110.887 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 24.1 t -82.42 -46.16 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 74.42 111.115 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.9 -41.4 96.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 74.3 110.971 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -118.75 86.89 2.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 72.51 110.889 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 14.7 p -96.45 144.85 9.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 74.25 111.108 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -149.62 66.43 1.0 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 64.23 110.801 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -103.0 96.45 6.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 64.53 110.861 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 8.5 mmm180 -80.81 101.15 9.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 71.31 110.891 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -102.9 160.56 25.84 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.638 0.732 . . . . 63.25 110.913 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -47.54 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.71 2.274 . . . . 73.32 112.35 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -158.25 179.68 8.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 50.35 110.85 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 25.1 p -97.13 60.31 1.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 64.3 111.156 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.13 138.34 41.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 75.44 110.845 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.44 109.33 14.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 74.32 111.153 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -144.53 -69.98 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.735 -0.745 . . . . 41.24 112.504 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 160.54 106.43 0.21 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.752 -0.737 . . . . 53.3 112.503 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -174.23 148.64 10.07 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.768 -0.73 . . . . 64.43 112.491 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 105.09 39.25 2.32 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.78 -0.724 . . . . 71.54 112.433 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -111.58 21.09 21.93 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 70.33 112.479 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.43 HG23 ' N ' ' A' ' 110' ' ' ASP . 3.2 tp -50.43 -48.27 25.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.823 0.344 . . . . 73.41 111.109 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.571 ' O ' HD23 ' A' ' 114' ' ' LEU . 11.8 t70 -66.58 -25.46 66.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 75.21 110.868 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.78 -48.68 24.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 75.54 110.917 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.34 -46.22 74.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 65.11 110.927 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -61.04 -27.53 68.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 72.33 110.867 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.72 HD11 HG23 ' A' ' 26' ' ' ILE . 0.5 OUTLIER -67.82 -43.69 79.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 75.54 110.93 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 51.8 t-105 -79.73 -41.67 26.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.175 -0.466 . . . . 74.34 110.894 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -56.27 -25.01 19.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 73.45 111.151 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.43 ' CD2' HG23 ' A' ' 22' ' ' THR . 0.1 OUTLIER -81.13 -60.02 2.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 71.31 110.878 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 97.8 t -51.67 -30.16 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 74.24 111.128 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -69.56 -57.02 5.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 74.11 110.861 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 11.5 p -65.01 -24.18 34.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 43.3 111.131 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.87 -49.88 16.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 74.23 110.896 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.9 t -53.42 -50.07 50.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 63.03 111.126 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -75.42 -31.36 60.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 75.31 110.86 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -65.62 -58.99 8.18 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.753 . . . . 74.3 112.485 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.803 HG21 HG22 ' A' ' 19' ' ' VAL . 25.7 p -56.36 -45.77 80.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.788 0.327 . . . . 65.1 111.169 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 11.4 mm -52.46 -45.31 45.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 60.13 111.139 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -59.98 -32.06 74.31 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 72.42 112.478 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 35.5 mmm -59.62 -57.71 11.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.78 0.324 . . . . 72.11 110.879 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.51 -14.04 60.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 73.32 110.836 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 1.1 tt -83.15 -15.41 50.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 74.33 110.93 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.529 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 1.3 tt0 -55.03 -58.53 14.26 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.594 0.712 . . . . 60.11 110.902 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 131' ' ' GLN . 53.7 Cg_endo -69.71 150.93 69.18 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.695 2.263 . . . . 60.1 112.362 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -66.91 -26.34 66.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 74.5 110.899 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -171.78 -177.33 1.95 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 63.42 110.912 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -67.9 -13.97 62.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 73.53 110.939 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -89.26 51.19 2.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 73.31 110.913 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.522 ' HB2' ' HB3' ' A' ' 3' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.239 0 CA-C-N 116.184 -0.462 . . . . 64.44 110.931 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.816 0.341 . . . . 74.45 110.863 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -126.24 139.21 53.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 52.51 111.092 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -104.45 3.3 32.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 74.54 110.841 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -103.63 37.04 2.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 62.32 110.898 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.522 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 5.3 tt0 -66.39 -58.43 10.38 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.651 0.738 . . . . 65.52 110.869 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 54.0 Cg_endo -69.74 -23.12 31.26 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.668 2.245 . . . . 65.22 112.372 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.4 -22.46 51.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 74.31 110.951 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.06 -21.37 50.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 63.13 110.89 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -72.69 -56.9 4.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 51.4 110.929 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.3 t -52.25 -40.91 62.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 73.42 111.138 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 34.5 mt -62.12 -43.98 98.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 74.45 111.145 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -67.39 -13.68 62.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 73.21 110.875 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 mt -88.98 -24.22 22.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 71.23 110.884 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.0 mm -79.71 -30.54 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 71.41 111.113 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.539 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 4.0 mt -53.39 -57.47 16.78 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.654 0.74 . . . . 73.22 111.112 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.539 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 53.8 Cg_endo -69.78 -35.79 11.94 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.636 2.224 . . . . 55.44 112.346 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.4 t -52.26 -56.14 16.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 71.24 110.874 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 43.8 t -64.17 -47.48 89.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 64.22 111.153 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.8 tp -52.43 -46.34 66.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 72.23 110.915 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.431 HG23 HG22 ' A' ' 45' ' ' VAL . 31.4 mt -52.58 -50.97 38.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 73.13 111.148 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.639 HG23 ' CE2' ' A' ' 117' ' ' PHE . 58.2 m -54.16 -51.65 63.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 63.23 111.166 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.4 -40.43 65.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 50.51 110.847 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.21 -46.45 65.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 50.11 110.907 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.32 -30.01 70.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 73.44 111.063 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 94.7 mt -74.92 -45.76 42.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 74.33 111.133 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.0 mt -56.9 -36.7 70.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 74.12 110.945 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 5.0 t -68.94 -46.8 78.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 74.24 111.181 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -58.95 -30.07 67.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 74.22 110.864 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.542 ' O ' HD22 ' A' ' 31' ' ' LEU . 1.7 m-85 -81.45 -35.83 30.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 72.44 110.963 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.542 HD22 ' O ' ' A' ' 30' ' ' TYR . 3.4 mm? -123.37 72.07 47.69 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.578 0.704 . . . . 72.43 110.89 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 96.49 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.713 2.275 . . . . 74.54 112.32 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.2 164.62 23.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 41.15 110.85 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.07 36.77 2.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 72.04 110.855 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 88.6 m -111.17 18.23 19.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 72.55 110.931 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 72.4 21.14 79.55 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.719 -0.753 . . . . 54.05 112.438 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.56 -21.75 66.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.922 0.392 . . . . 54.51 110.895 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.13 -47.82 80.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 61.51 110.939 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 7.2 mtt -76.55 -39.78 51.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 75.45 110.845 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.1 m -54.52 -38.96 67.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 61.14 111.134 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.75 -44.91 54.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 75.22 110.898 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.91 -43.92 77.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 73.31 110.908 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 54.8 mt -76.13 -29.55 19.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 71.4 111.103 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.13 -55.03 13.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 74.42 110.876 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.431 HG22 HG23 ' A' ' 21' ' ' ILE . 17.3 t -55.92 -43.85 76.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 72.24 111.152 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.3 mt -57.64 -34.67 69.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 75.44 110.874 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.5 tp -63.3 -44.39 95.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 72.42 110.917 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.43 -41.56 69.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 65.32 111.118 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.506 HD21 ' CE ' ' A' ' 78' ' ' MET . 48.0 tp -60.73 -48.08 83.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 74.34 110.954 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -52.93 -44.58 67.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 72.45 111.129 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.1 t -62.6 -40.12 87.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 73.24 111.176 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.652 ' O ' HD12 ' A' ' 56' ' ' ILE . 44.7 t80 -53.19 -55.86 20.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 70.44 110.9 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.65 -59.25 4.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 74.0 110.888 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -52.74 -37.67 59.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 74.41 110.928 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.75 -65.96 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 75.31 110.899 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.652 HD12 ' O ' ' A' ' 52' ' ' PHE . 1.8 mp -71.53 -20.7 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 74.45 111.122 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.0 t -48.08 -41.24 25.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 64.41 110.889 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.3 ptpt -95.51 -22.04 17.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 61.33 110.917 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 23.7 mt -98.01 66.87 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 71.14 111.129 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 58.5 t -113.43 74.27 2.13 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.636 0.731 . . . . 42.23 111.135 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 167.75 23.58 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.683 2.255 . . . . 51.04 112.303 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -10.29 28.19 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.643 2.229 . . . . 74.22 112.375 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 68.2 p -87.38 2.98 48.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 55.54 111.114 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.7 m -91.13 -28.46 17.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 72.24 110.869 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.3 t -56.71 159.34 3.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 72.52 110.859 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.8 t0 59.97 94.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 75.55 110.844 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.5 t 56.04 70.88 1.35 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.637 0.732 . . . . 73.24 110.844 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 128.36 15.95 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.669 2.246 . . . . 70.43 112.363 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.38 -44.27 79.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 74.13 110.872 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.583 HG21 HG21 ' A' ' 56' ' ' ILE . 21.8 m -61.78 -23.13 30.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 64.34 111.144 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -76.6 -51.46 6.51 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.688 -0.767 . . . . 52.43 112.502 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -55.08 -55.35 32.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.91 0.386 . . . . 73.02 110.913 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -52.74 -45.32 66.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 72.14 110.922 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.7 tp -56.37 -46.08 80.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 51.4 110.904 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.02 -56.44 16.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 75.32 110.859 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -60.37 -29.17 68.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 73.23 110.861 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 47.1 m -74.34 -31.45 62.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 72.53 111.184 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.506 ' CE ' HD21 ' A' ' 49' ' ' LEU . 1.8 mmt -67.3 -59.78 3.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 60.12 110.88 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 30.6 m -56.62 -30.5 32.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 70.21 111.107 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.6 mt -66.18 -53.87 32.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.447 . . . . 73.02 110.896 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.504 HG21 HD22 ' A' ' 49' ' ' LEU . 61.3 t -60.49 -49.3 84.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 72.31 111.123 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.0 m -52.3 -48.94 65.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 60.41 111.122 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.62 -39.18 64.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 73.44 110.858 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.8 t -60.75 -45.03 95.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 65.24 110.874 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 10.9 mm -58.1 -39.31 72.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 64.32 111.196 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 21.3 t -62.3 -36.16 73.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.12 -0.491 . . . . 44.03 111.15 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.78 -27.21 31.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 72.43 111.125 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.81 -43.97 86.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 73.2 110.861 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.8 t -83.5 -40.52 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 71.15 111.146 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 1.9 m -56.58 -29.52 62.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 72.34 110.887 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 41.8 t -86.72 -45.96 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 71.23 111.147 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.89 -41.87 68.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 74.42 110.961 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -162.43 123.63 2.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 71.45 110.891 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.1 p -88.68 161.32 2.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 61.22 111.168 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -176.8 -46.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 62.04 110.891 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 36.7 m-70 -102.22 -171.76 2.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 71.11 110.858 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 62.5 mtt-85 -140.99 145.98 36.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 64.41 110.876 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.12 160.58 82.43 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.68 0.752 . . . . 63.14 110.809 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -42.09 3.73 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.661 2.24 . . . . 64.54 112.376 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -111.46 124.35 52.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 63.15 110.882 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 7.0 p -134.03 161.16 35.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 63.4 111.188 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -105.17 145.75 30.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 63.32 110.844 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.67 145.53 55.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 74.51 111.136 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 63.64 165.33 0.74 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.748 -0.739 . . . . 74.34 112.521 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -149.97 -91.1 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.725 -0.75 . . . . 64.3 112.462 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 107.0 -10.38 40.37 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.702 -0.761 . . . . 51.43 112.455 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 88.12 28.52 22.78 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.721 -0.752 . . . . 62.12 112.503 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -109.66 9.3 32.41 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.681 -0.771 . . . . 64.42 112.5 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.23 -35.95 16.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.81 0.338 . . . . 61.41 111.121 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -60.2 -53.05 62.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 75.51 110.865 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -65.19 -27.14 68.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 74.53 110.851 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -67.45 -57.43 6.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 71.21 110.91 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -55.31 -31.79 61.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 50.4 110.884 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.621 ' O ' HG23 ' A' ' 118' ' ' VAL . 0.2 OUTLIER -77.8 -47.56 18.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 51.14 110.895 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 36.2 t90 -61.28 -50.46 72.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 70.34 110.942 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 2.1 pp -61.34 -30.78 48.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 72.24 111.151 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.639 ' CE2' HG23 ' A' ' 22' ' ' THR . 14.1 t80 -76.07 -37.58 58.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 75.31 110.878 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 114' ' ' LEU . 72.4 t -68.32 -37.01 77.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 73.44 111.108 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -61.05 -57.48 12.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 75.34 110.867 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.4 p -57.77 -29.04 34.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 73.54 111.16 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -70.15 -41.14 74.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 64.24 110.88 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 33.6 t -77.72 -60.51 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 74.22 111.083 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -56.24 -43.99 79.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 74.22 110.855 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -61.34 -57.01 20.31 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.78 -0.724 . . . . 73.22 112.528 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 6.6 m -59.61 -49.85 76.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.765 0.317 . . . . 73.14 111.155 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 17.6 mm -56.99 -37.7 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 71.53 111.121 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -58.2 -60.25 9.31 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.748 -0.739 . . . . 63.24 112.458 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 19.6 ptp -66.4 -21.52 66.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.825 0.345 . . . . 74.13 110.864 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -82.95 -14.48 54.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 64.03 110.825 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.34 -13.41 56.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.174 -0.467 . . . . 73.04 110.973 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.523 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 0.8 OUTLIER -51.17 -58.67 9.7 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.593 0.711 . . . . 71.55 110.915 179.909 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 131' ' ' GLN . 53.4 Cg_endo -69.76 150.97 68.89 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.666 2.244 . . . . 74.03 112.334 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -66.92 -26.29 66.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 71.53 110.938 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -171.84 177.59 3.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 74.14 110.879 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -54.44 -33.78 60.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 70.51 110.908 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 55.22 89.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 62.34 110.883 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 75.23 110.86 -179.881 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.862 0.363 . . . . 72.33 110.891 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -177.35 -49.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 74.22 111.076 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -96.89 13.87 27.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 75.44 110.899 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 55.99 61.86 2.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.495 . . . . 72.14 110.855 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.527 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 5.3 tt0 -66.05 -58.43 10.95 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.639 0.733 . . . . 64.31 110.854 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 53.9 Cg_endo -69.71 -34.59 14.45 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.677 2.251 . . . . 71.12 112.33 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.85 -19.13 63.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 62.43 110.917 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -85.59 -25.27 26.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 63.02 110.878 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -68.44 -51.04 48.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 72.1 110.933 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.57 ' O ' HD12 ' A' ' 15' ' ' ILE . 4.9 t -54.25 -39.64 67.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 64.33 111.126 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 90.8 mt -63.95 -44.06 97.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 75.12 111.113 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.58 -12.92 61.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 75.03 110.853 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.3 tt -88.67 -25.14 22.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 72.3 110.955 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.57 HD12 ' O ' ' A' ' 11' ' ' THR . 2.1 mt -79.31 -31.62 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 64.22 111.167 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.546 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 1.1 mm -51.76 -57.49 14.51 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.669 0.747 . . . . 74.45 111.137 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.546 ' HD2' ' N ' ' A' ' 16' ' ' ILE . 54.0 Cg_endo -69.75 -37.39 9.26 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.639 2.226 . . . . 64.44 112.391 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.6 m -52.48 -58.2 7.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 74.43 110.904 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 99.6 t -62.18 -30.85 49.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 63.14 111.141 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.6 tt -64.33 -48.48 75.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 74.25 110.924 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 31.9 mm -52.62 -49.78 43.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 74.43 111.131 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.6 m -53.96 -49.74 68.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 70.15 111.141 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.68 -37.47 68.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 74.11 110.876 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.06 -42.17 76.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 75.23 110.915 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.6 -34.62 76.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 72.42 111.12 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 78.9 mt -72.98 -33.09 42.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 75.53 111.157 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.65 -37.38 73.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 75.31 110.95 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 51.8 t -63.83 -42.9 97.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 73.24 111.081 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -69.33 -26.24 64.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 71.23 110.895 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -89.39 -8.14 53.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 71.11 110.93 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -139.76 70.53 36.98 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.609 0.719 . . . . 72.5 110.937 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 92.96 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.682 2.255 . . . . 73.44 112.361 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 m -124.45 126.72 46.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 34.14 110.867 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 62.45 171.98 0.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 72.24 110.874 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -102.64 -23.9 13.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 53.44 110.902 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -74.77 -14.38 81.48 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 64.14 112.492 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -69.65 -39.89 76.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.895 0.379 . . . . 71.21 110.884 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.24 -51.18 70.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 74.12 110.875 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.5 mtt -59.79 -30.17 68.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 64.24 110.886 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.5 m -70.53 -33.73 71.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 63.54 111.186 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.494 ' O ' HG12 ' A' ' 45' ' ' VAL . 24.4 tp -62.79 -52.71 62.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 70.42 110.933 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 37.1 t -55.95 -40.49 73.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 53.51 110.848 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 78.5 mt -73.63 -23.81 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 73.23 111.149 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.4 t -76.56 -62.81 1.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 74.45 110.81 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.494 HG12 ' O ' ' A' ' 41' ' ' LEU . 3.1 p -53.25 -31.14 17.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 54.1 111.118 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 32.5 tp -72.92 -45.06 60.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 73.32 110.896 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 29.3 tp -54.59 -43.34 72.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 64.53 110.842 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.67 -41.38 99.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 74.31 111.104 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.643 HD12 HG21 ' A' ' 81' ' ' VAL . 0.6 OUTLIER -55.75 -57.52 11.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 74.31 110.918 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.5 p -59.27 -37.79 78.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.13 -0.486 . . . . 61.43 111.11 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.7 t -59.37 -48.62 86.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 60.53 111.16 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.669 ' O ' HD12 ' A' ' 56' ' ' ILE . 15.6 m-85 -53.16 -47.76 68.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 72.41 110.907 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.74 -59.12 4.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 74.14 110.928 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.86 -37.99 60.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 71.21 110.915 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.63 -65.7 0.52 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 53.43 110.932 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.956 HG21 HG21 ' A' ' 70' ' ' VAL . 1.9 mp -71.12 -21.12 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 73.31 111.157 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.6 t -48.73 -41.06 30.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 75.22 110.873 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.564 ' O ' HD13 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -95.48 -22.75 17.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 75.14 110.912 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.564 HD13 ' O ' ' A' ' 58' ' ' LYS . 18.3 mm -119.8 63.09 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 53.24 111.122 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.538 ' HA ' HG22 ' A' ' 56' ' ' ILE . 2.9 m -50.89 156.58 1.62 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.62 0.724 . . . . 75.43 111.094 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.82 167.73 23.67 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.702 2.268 . . . . 73.14 112.342 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -19.13 36.29 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.635 2.224 . . . . 61.42 112.344 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -172.25 115.13 0.33 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 75.41 111.211 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.6 p -124.31 6.57 8.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 63.34 110.845 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.82 -22.59 61.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 70.23 110.813 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -151.75 117.22 5.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 71.23 110.843 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.6 m 53.35 71.54 1.38 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.657 0.741 . . . . 53.43 110.809 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 174.95 8.78 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.694 2.263 . . . . 52.55 112.336 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -113.54 -63.76 1.4 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 52.21 110.836 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.956 HG21 HG21 ' A' ' 56' ' ' ILE . 34.1 m -64.76 -31.52 54.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 64.11 111.15 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -73.75 -43.45 35.43 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.756 -0.735 . . . . 64.34 112.488 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -58.67 -54.08 51.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.87 0.367 . . . . 75.13 110.901 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -52.62 -47.32 67.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.12 -0.491 . . . . 72.22 110.931 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.86 -37.73 71.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.107 -0.497 . . . . 64.43 110.885 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -56.64 -48.43 77.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 71.43 110.87 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.53 -32.16 70.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 72.32 110.866 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 16.0 m -71.81 -36.12 70.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 54.25 111.167 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.1 mmt -57.55 -58.92 6.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 73.13 110.874 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 7.0 p -59.06 -36.57 63.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 44.32 111.099 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.59 -50.36 69.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 70.23 110.936 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.643 HG21 HD12 ' A' ' 49' ' ' LEU . 42.8 t -60.58 -41.76 89.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 71.13 111.125 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.2 m -55.22 -39.03 69.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 52.11 111.154 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.97 -42.02 97.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 75.33 110.943 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.62 -40.71 97.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 62.01 110.865 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 9.2 mm -56.74 -44.33 81.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 74.42 111.121 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 65.4 t -58.88 -43.77 89.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 73.42 111.154 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 27.3 m -69.89 -33.25 71.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 73.5 111.197 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.61 -44.43 77.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 63.11 110.881 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 14.3 t -75.52 -30.79 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 74.44 111.094 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.62 -42.17 98.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 71.11 110.883 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.6 t -78.87 -35.21 17.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.475 . . . . 62.24 111.097 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.4 tp -64.6 -48.76 73.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 62.53 110.937 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -132.31 143.35 49.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 71.21 110.912 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.1 p -164.73 138.62 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 74.44 111.12 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -169.57 177.6 4.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 72.45 110.878 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 61.72 169.62 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 65.35 110.868 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.14 148.3 4.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 73.42 110.896 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.74 160.57 52.78 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.65 0.738 . . . . 71.33 110.875 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -33.04 17.31 Favored 'Trans proline' 0 N--CA 1.466 -0.146 0 C-N-CA 122.699 2.266 . . . . 72.4 112.317 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -93.81 166.21 12.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 62.3 110.879 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 47.6 p -119.34 37.55 4.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 71.42 111.145 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -87.63 -39.46 15.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 72.4 110.855 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.06 132.97 41.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 54.33 111.168 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 106.43 149.38 16.78 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.743 -0.742 . . . . 70.44 112.513 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -130.76 52.89 0.82 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.788 -0.72 . . . . 70.54 112.553 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.43 -95.97 2.09 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.768 -0.73 . . . . 75.21 112.487 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -164.71 36.82 0.29 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.795 -0.717 . . . . 72.11 112.538 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -109.69 13.77 32.41 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.709 -0.758 . . . . 60.22 112.516 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.2 -35.94 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.833 0.349 . . . . 63.35 111.18 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -57.98 -46.63 84.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 65.15 110.834 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -63.26 -32.64 74.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 75.23 110.863 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.3 mt -67.85 -43.02 80.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 73.42 110.924 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -66.68 -39.27 88.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 65.14 110.874 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.39 -44.07 75.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 75.43 110.921 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 5.8 t90 -57.02 -57.35 12.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 72.42 110.921 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 42.7 pt -56.71 -26.18 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.421 . . . . 74.25 111.14 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -79.51 -34.47 41.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 71.11 110.889 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.47 ' O ' HG23 ' A' ' 122' ' ' VAL . 34.2 t -75.18 -38.22 41.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 72.32 111.135 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -64.87 -47.8 76.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 71.0 110.861 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 13.7 p -66.77 -28.82 44.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 74.53 111.162 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 44.2 t -72.74 -32.21 65.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 73.42 110.88 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.478 HG12 HD12 ' A' ' 126' ' ' ILE . 74.4 t -81.09 -61.07 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 74.23 111.088 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -60.64 -27.56 67.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 74.21 110.868 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -71.04 -53.34 10.93 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.76 -0.733 . . . . 54.52 112.455 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 28.5 m -64.0 -39.55 94.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.717 0.294 . . . . 73.31 111.133 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.478 HD12 HG12 ' A' ' 122' ' ' VAL . 70.0 mt -68.06 -24.8 30.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 72.31 111.147 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -70.95 -46.39 45.1 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.718 -0.753 . . . . 30.33 112.511 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 19.9 ptp -78.9 -22.13 46.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.735 0.302 . . . . 75.32 110.844 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -82.51 -44.73 15.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 74.41 110.859 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.06 2.83 56.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 73.41 110.946 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.532 ' N ' ' HD2' ' A' ' 132' ' ' PRO . 1.9 tt0 -52.31 -58.43 11.63 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.552 0.692 . . . . 74.12 110.878 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 131' ' ' GLN . 53.8 Cg_endo -69.75 150.93 68.91 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.741 2.294 . . . . 53.25 112.348 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -66.91 -26.35 66.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 74.12 110.919 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -173.88 -77.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 74.31 110.85 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -110.62 -29.41 8.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 74.04 110.93 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 52.49 83.06 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 75.42 110.867 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 63.11 110.836 -179.906 . . . . . . . . 0 0 . 1 stop_ save_