data_2mzg_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 2mzg _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.822 0.344 . . . . 64.25 111.079 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 29.9 p -109.03 -174.13 2.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 73.21 110.917 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.9 m -109.81 82.23 2.28 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.594 0.711 . . . . 74.14 111.19 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -168.61 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.728 2.285 . . . . 75.41 112.332 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.5 tp -61.39 142.18 57.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 75.4 110.937 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.2 mt 66.34 56.18 0.8 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 75.2 110.962 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -146.49 166.97 24.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 64.13 110.843 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -77.87 113.36 15.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 64.55 110.823 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.1 p -125.84 8.5 7.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 71.42 110.901 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.4 t -56.83 -27.37 59.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 72.32 110.89 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -80.12 -20.4 45.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 71.5 110.87 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -162.77 119.01 1.87 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 75.23 110.891 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.0 mtm-85 -85.03 -20.66 30.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 74.2 110.881 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.3 m170 -103.95 19.41 20.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 71.33 110.861 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.9 m -100.11 -21.18 15.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 72.04 110.852 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.7 m -51.35 157.6 0.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 75.02 110.917 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.9 m -66.14 155.64 36.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 74.33 110.854 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.6 ttt85 -80.14 161.66 25.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 71.55 110.835 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -114.05 -177.64 19.18 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.754 -0.736 . . . . 54.45 112.494 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.31 -34.58 65.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.811 0.339 . . . . 74.35 110.888 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 5.1 mtt -107.94 -46.16 3.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 75.43 110.868 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -146.89 175.69 10.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 75.1 110.908 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.0 145.96 29.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 74.21 110.878 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -57.32 166.56 1.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 74.21 110.94 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -117.67 136.52 54.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 75.02 111.113 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.4 t -92.09 114.13 26.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 72.13 110.908 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -92.46 149.59 21.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 75.21 110.868 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 35.4 m -131.75 151.4 51.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 71.32 110.902 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -145.06 148.1 33.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 74.22 110.94 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -121.8 77.37 39.01 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.665 0.745 . . . . 71.32 110.955 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 76.81 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.725 2.284 . . . . 62.13 112.344 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 65.71 30.52 10.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 62.33 110.878 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -164.68 70.2 0.2 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.764 -0.731 . . . . 71.4 112.504 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -79.13 -40.9 29.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 64.2 110.849 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -100.08 14.23 31.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 73.21 110.882 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.53 -61.02 1.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 72.02 110.911 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -160.31 107.19 1.57 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 72.44 111.12 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.55 129.6 34.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.453 . . . . 75.52 110.899 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.9 t -96.44 115.33 35.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 73.1 111.14 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 39.1 m -118.76 153.24 34.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 71.02 110.902 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.8 p -150.09 152.23 34.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 75.45 110.851 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 2.2 t -72.11 129.95 39.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 73.12 110.885 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -140.83 167.02 23.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 72.23 110.972 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -95.2 145.76 30.1 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.563 0.697 . . . . 63.22 110.909 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 169.82 18.03 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.661 2.241 . . . . 75.24 112.363 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.64 -33.35 71.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 75.21 110.889 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.7 m -64.61 -53.67 44.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.437 . . . . 72.41 110.855 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.92 -46.42 89.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 71.31 110.894 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -61.7 2.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.445 . . . . 74.11 110.929 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 35.8 mt -51.27 -46.81 33.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 63.31 111.155 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.41 -59.13 4.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 71.32 111.121 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.1 -48.43 64.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 73.4 110.877 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.9 mmtt -51.07 -55.1 19.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 74.32 110.922 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 42.4 mm -57.52 -51.18 73.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 74.24 111.123 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 43.9 mt -52.66 -56.88 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 70.44 111.134 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -56.52 -44.86 81.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 72.11 110.898 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.5 ttmt -56.45 -58.66 7.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 63.32 110.881 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 75.54 111.082 179.836 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.796 0.331 . . . . 64.25 111.119 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m -101.61 161.27 13.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.295 -0.411 . . . . 73.21 110.932 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 97.8 m -116.3 80.77 10.05 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.58 0.705 . . . . 74.14 111.178 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -168.84 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.638 2.225 . . . . 75.41 112.375 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 20.2 tp -60.54 150.41 31.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 75.4 110.9 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 26.1 mt 59.91 58.44 2.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 75.2 110.989 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -145.49 168.16 21.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 64.13 110.838 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.56 116.47 18.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 64.55 110.914 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.8 p -129.37 4.82 5.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 71.42 110.84 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 t -60.12 -24.4 64.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 72.32 110.86 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -79.7 -18.09 52.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 71.5 110.877 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -167.6 115.31 0.76 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 75.23 110.824 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.5 mtm180 -70.82 -13.06 61.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 74.2 110.86 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -110.43 25.24 11.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 71.33 110.875 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.7 m -86.27 -38.35 17.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 72.04 110.824 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 98.7 m -54.9 132.61 46.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 75.02 110.84 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 85.0 m -79.56 164.63 23.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 74.33 110.841 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 49.0 ttt85 -79.9 156.69 27.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 71.55 110.87 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -104.69 -159.98 23.84 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.717 -0.754 . . . . 54.45 112.502 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -77.49 -33.24 54.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.768 0.318 . . . . 74.35 110.851 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 17.2 mtt -100.18 -67.98 0.83 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 75.43 110.851 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -133.62 172.15 13.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 75.1 110.874 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -84.29 145.96 28.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 74.21 110.907 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -74.02 166.14 23.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 74.21 110.888 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.0 p -122.65 149.31 26.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 75.02 111.126 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 50.4 t -94.28 114.43 26.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 72.13 110.874 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -92.61 149.19 21.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 75.21 110.856 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 63.4 m -133.07 139.68 47.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 71.32 110.89 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -145.39 172.76 12.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 74.22 110.885 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -143.65 152.8 57.19 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.69 0.757 . . . . 71.32 110.952 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 73.95 1.3 Allowed 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.722 2.282 . . . . 62.13 112.34 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 55.47 25.55 7.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 62.33 110.916 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 174.7 120.88 0.61 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.752 -0.737 . . . . 71.4 112.503 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.7 pt-20 -74.23 -8.57 56.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.844 0.354 . . . . 64.2 110.959 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.01 10.63 23.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 73.21 110.819 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -110.18 -75.08 0.63 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.256 -0.429 . . . . 72.02 110.848 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.3 m -150.79 139.0 20.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 72.44 111.126 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.45 113.16 25.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 75.52 110.88 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.6 t -113.48 115.97 51.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 73.1 111.086 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 57.9 m -114.49 152.74 31.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 71.02 110.852 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 p -150.46 151.15 32.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 75.45 110.856 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 t -67.99 127.89 34.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 73.12 110.856 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -140.47 170.93 14.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 72.23 110.935 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -95.26 146.51 31.45 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.59 0.709 . . . . 63.22 110.95 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 168.85 20.31 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.71 2.273 . . . . 75.24 112.35 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.06 -29.13 60.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 75.21 110.977 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.2 p -68.27 -55.44 12.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 72.41 110.907 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.78 -41.34 86.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 71.31 110.867 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -63.05 1.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 74.11 110.891 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 50.5 mt -54.23 -50.57 55.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 63.31 111.114 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.43 -54.08 36.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 71.32 111.116 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -55.82 -42.12 75.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 73.4 110.858 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -58.52 -51.9 67.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 74.32 110.887 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 49.3 mm -58.27 -58.14 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 74.24 111.102 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 50.5 mm -52.62 -40.74 35.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 70.44 111.155 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -60.38 -63.51 1.28 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 72.11 110.912 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.87 -25.66 61.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 63.32 110.894 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 75.54 111.098 179.856 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.89 0.376 . . . . 64.25 111.038 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.4 m -144.8 160.23 41.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 73.21 110.926 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 98.2 m -118.74 81.21 18.36 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.568 0.699 . . . . 74.14 111.103 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -172.88 0.62 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.659 2.24 . . . . 75.41 112.347 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.0 tp -59.04 146.34 38.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 75.4 110.97 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.0 mt 65.9 57.61 0.8 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.239 -0.437 . . . . 75.2 110.888 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -146.68 170.69 16.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 64.13 110.866 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.79 123.16 27.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.26 -0.427 . . . . 64.55 110.9 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 22.0 p -132.17 5.44 4.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 71.42 110.903 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.58 -25.37 66.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.155 -0.475 . . . . 72.32 110.839 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 -79.72 -18.51 51.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.482 . . . . 71.5 110.887 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -167.33 123.39 1.12 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 75.23 110.881 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 48.7 mtm180 -78.2 -17.73 56.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 74.2 110.854 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 -109.68 35.39 3.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 71.33 110.856 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -97.47 -35.94 10.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 72.04 110.891 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 68.4 m -53.68 131.79 39.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.064 -0.516 . . . . 75.02 110.79 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 65.6 m -80.65 167.57 19.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 74.33 110.938 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -80.1 152.56 29.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.291 -0.413 . . . . 71.55 110.82 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -105.8 -176.31 23.86 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.784 -0.722 . . . . 54.45 112.479 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.83 -24.79 41.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.795 0.331 . . . . 74.35 110.928 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.3 mtt -108.99 -52.42 2.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 75.43 110.809 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -146.64 158.21 43.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 75.1 110.821 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.66 145.62 28.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 74.21 110.891 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -90.01 147.11 23.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 74.21 110.929 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -118.76 176.66 3.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 75.02 111.154 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 12.3 t -100.3 116.08 31.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 72.13 110.857 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -103.08 113.82 27.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 75.21 110.858 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 94.3 m -100.77 137.76 38.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 71.32 110.92 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -145.25 178.98 7.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.466 . . . . 74.22 110.846 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -143.46 153.97 59.56 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.76 0.791 . . . . 71.32 110.902 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 74.05 1.32 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.686 2.257 . . . . 62.13 112.327 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 54.75 26.63 7.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 62.33 110.843 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 177.07 124.24 0.83 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.709 -0.758 . . . . 71.4 112.476 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -75.07 -10.42 59.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.844 0.354 . . . . 64.2 110.873 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.0 27.71 3.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 73.21 110.876 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.3 mttm -124.01 -74.8 0.6 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 72.02 110.872 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 89.7 m -154.12 140.24 18.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.254 -0.43 . . . . 72.44 111.213 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -96.46 116.12 28.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.273 -0.421 . . . . 75.52 110.942 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 18.2 t -114.58 117.73 56.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 73.1 111.157 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.1 m -117.43 139.64 50.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 71.02 110.84 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.0 p -145.59 155.53 43.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.129 -0.487 . . . . 75.45 110.801 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 2.3 t -68.01 116.26 8.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.498 . . . . 73.12 110.891 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -143.62 173.78 11.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 72.23 110.895 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -87.0 143.04 34.41 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.586 0.707 . . . . 63.22 110.89 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 148.7 65.78 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.625 2.217 . . . . 75.24 112.343 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.15 -28.94 56.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 75.21 110.892 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.74 -51.73 52.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 72.41 110.801 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 49.9 m170 -64.02 -41.6 97.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 71.31 110.843 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.8 mmtp -59.83 -58.51 8.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 74.11 110.918 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 38.8 mt -55.49 -48.5 77.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 63.31 111.166 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.72 -57.88 8.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 71.32 111.054 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.01 -44.03 70.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 73.4 110.917 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.3 mmmt -54.29 -53.36 54.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 74.32 110.914 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 49.4 mm -58.25 -56.81 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 74.24 111.13 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 49.8 mm -51.58 -55.33 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 70.44 111.076 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -51.99 -45.39 64.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 72.11 110.859 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.2 ttmm -65.41 -33.72 76.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 63.32 110.898 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 75.54 111.132 179.787 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.881 0.372 . . . . 64.25 111.095 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.48 -175.47 3.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 73.21 110.868 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 92.2 m -138.86 87.55 14.4 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.577 0.703 . . . . 74.14 111.146 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.83 -171.97 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.63 2.22 . . . . 75.41 112.353 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.3 tp -64.89 141.33 58.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.268 -0.423 . . . . 75.4 110.91 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.2 mt 66.25 53.31 1.04 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 75.2 110.903 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -143.59 167.29 22.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 64.13 110.949 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -71.01 119.76 15.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.223 -0.444 . . . . 64.55 110.862 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.0 p -128.79 2.13 5.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.431 . . . . 71.42 110.871 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.2 t -58.1 -27.87 64.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 72.32 110.915 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -79.93 -20.36 45.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 71.5 110.886 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -161.54 115.99 1.98 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 75.23 110.89 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 50.7 mtm180 -84.98 -9.61 57.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 74.2 110.906 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -118.4 24.58 10.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 71.33 110.871 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -100.0 -26.83 13.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 72.04 110.878 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 48.6 m -51.89 131.96 31.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.49 . . . . 75.02 110.933 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -52.93 171.99 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 74.33 110.895 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.1 ttp180 -80.75 166.02 21.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 71.55 110.94 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -111.87 161.67 12.67 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.724 -0.751 . . . . 54.45 112.471 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.36 -35.31 37.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 74.35 110.892 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.7 mtt -117.14 -45.15 2.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 75.43 110.863 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -146.03 142.77 28.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 75.1 110.889 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.38 156.67 1.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 74.21 110.882 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -77.86 163.31 26.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 74.21 110.94 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.0 p -115.56 149.03 17.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.07 -0.514 . . . . 75.02 111.174 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 51.6 t -97.49 112.4 24.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 72.13 110.892 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -93.88 122.69 36.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 75.21 110.807 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.6 m -107.09 150.23 26.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 71.32 110.971 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -141.72 153.58 44.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 74.22 110.887 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -125.31 77.62 68.01 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.644 0.735 . . . . 71.32 110.937 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 75.9 1.15 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.729 2.286 . . . . 62.13 112.356 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 65.04 30.67 11.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.302 -0.408 . . . . 62.33 110.841 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -167.29 76.82 0.12 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.778 -0.725 . . . . 71.4 112.503 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -96.41 21.21 9.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.829 0.347 . . . . 64.2 110.914 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -110.16 -57.23 2.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.111 -0.495 . . . . 73.21 110.84 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.66 22.3 2.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 72.02 110.933 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -138.98 55.37 1.71 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 72.44 111.152 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -90.59 121.5 32.57 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.277 -0.419 . . . . 75.52 110.854 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 14.3 t -104.99 113.28 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 73.1 111.128 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 18.8 m -119.08 153.39 34.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 71.02 110.867 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.4 p -148.89 151.0 33.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 75.45 110.865 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 t -73.69 128.82 36.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 73.12 110.931 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -140.67 175.07 9.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 72.23 110.943 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -95.71 146.76 31.88 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.609 0.719 . . . . 63.22 110.889 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 171.0 15.25 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.661 2.241 . . . . 75.24 112.29 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.62 -28.23 65.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 75.21 110.861 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.0 m -68.84 -55.4 11.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 72.41 110.926 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -60.62 -39.05 86.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 71.31 110.895 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.1 mmtp -64.86 -64.31 0.9 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.156 -0.474 . . . . 74.11 110.882 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 54.5 mt -53.36 -42.74 49.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 63.31 111.142 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.18 -58.84 6.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 71.32 111.089 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -54.2 -37.42 64.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 73.4 110.897 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -62.17 -54.98 33.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 74.32 110.933 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 50.9 mt -55.87 -51.66 57.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 74.24 111.137 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 47.3 mm -57.38 -56.12 16.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.457 . . . . 70.44 111.145 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -51.95 -48.96 64.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.175 -0.466 . . . . 72.11 110.815 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -60.72 -35.93 77.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.192 -0.458 . . . . 63.32 110.813 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 75.54 111.104 179.909 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.81 0.338 . . . . 64.25 111.035 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.2 m -127.83 161.12 29.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.423 . . . . 73.21 110.855 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 94.4 m -113.14 78.87 3.36 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.643 0.735 . . . . 74.14 111.138 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -169.04 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.746 2.297 . . . . 75.41 112.335 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 20.0 tp -58.22 150.43 21.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 75.4 110.953 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 27.9 mt 59.73 61.03 2.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.215 -0.448 . . . . 75.2 110.898 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -144.86 168.08 21.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 64.13 110.888 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -77.59 119.22 20.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 64.55 110.932 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.9 p -130.14 3.27 4.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.419 . . . . 71.42 110.884 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.78 -39.45 71.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 72.32 110.918 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -80.79 -14.99 57.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 71.5 110.899 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -158.0 112.99 2.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 75.23 110.877 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -84.35 -18.94 34.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 74.2 110.867 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -107.52 24.75 12.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 71.33 110.811 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.2 p -87.07 -37.16 17.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 72.04 110.844 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 97.4 m -52.22 131.68 32.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 75.02 110.872 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 62.7 m -80.04 158.18 26.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 74.33 110.838 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -59.35 171.4 0.79 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 71.55 110.831 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -113.06 -154.87 11.72 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.669 -0.777 . . . . 54.45 112.452 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -79.51 -34.49 41.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.836 0.35 . . . . 74.35 110.912 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -120.11 -47.71 2.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.489 . . . . 75.43 110.863 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -131.91 163.02 29.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 75.1 110.811 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -83.72 145.36 28.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 74.21 110.918 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -72.23 165.65 24.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 74.21 110.925 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.7 p -125.93 148.91 30.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 75.02 111.079 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.2 t -93.34 118.32 31.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 72.13 110.915 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -96.07 155.6 16.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 75.21 110.863 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 85.3 m -138.29 138.37 38.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 71.32 110.817 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -145.32 172.83 12.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 74.22 110.837 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -140.47 153.92 68.92 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.642 0.734 . . . . 71.32 110.915 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 74.0 1.33 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.7 2.267 . . . . 62.13 112.322 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 56.52 24.5 8.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 62.33 110.861 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 174.69 124.66 0.81 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.727 -0.749 . . . . 71.4 112.477 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.5 pm0 -76.56 -7.47 55.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.88 0.371 . . . . 64.2 110.886 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -90.86 12.31 19.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 73.21 110.912 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.6 mmtp -112.28 -73.5 0.67 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 72.02 110.854 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.4 m -153.94 141.94 20.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.285 -0.416 . . . . 72.44 111.166 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -100.05 116.51 32.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 75.52 110.899 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 17.1 t -114.01 117.05 54.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 73.1 111.14 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 61.5 m -115.98 149.44 38.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 71.02 110.871 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.2 p -150.32 152.06 33.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 75.45 110.872 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 t -67.59 128.17 35.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.088 -0.505 . . . . 73.12 110.88 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -140.97 169.28 17.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 72.23 110.948 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -95.2 146.79 31.94 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.647 0.736 . . . . 63.22 110.872 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 173.99 10.13 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.65 2.234 . . . . 75.24 112.388 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.2 -28.62 66.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 75.21 110.967 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.35 -58.88 3.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 72.41 110.845 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.57 -38.42 77.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 71.31 110.846 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.56 -62.93 1.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 74.11 110.851 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 49.8 mt -54.46 -48.15 69.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 63.31 111.114 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.12 -55.38 24.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 71.32 111.109 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -55.34 -43.52 75.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 73.4 110.917 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -55.83 -52.35 64.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 74.32 110.879 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 47.2 mm -58.77 -57.25 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 74.24 111.107 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 43.8 mm -52.1 -34.17 17.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 70.44 111.165 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -68.18 -59.94 2.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 72.11 110.899 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.5 mtmt -58.66 -25.29 62.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 63.32 110.919 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 75.54 111.054 179.863 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.792 0.329 . . . . 64.25 111.105 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.7 p -101.05 -174.49 2.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.421 . . . . 73.21 110.854 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 57.2 m -110.52 80.79 2.14 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.614 0.721 . . . . 74.14 111.15 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -168.84 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.69 2.26 . . . . 75.41 112.328 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.0 tp -65.08 136.43 56.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 75.4 110.89 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.1 mt 66.18 53.1 1.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 75.2 110.937 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -143.49 167.5 22.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 64.13 110.862 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -66.01 117.62 8.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 64.55 110.84 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.6 p -119.93 5.18 10.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 71.42 110.922 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.7 t -54.13 -45.7 72.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 72.32 110.825 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -96.06 15.82 19.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 71.5 110.883 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -154.53 101.4 2.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 75.23 110.884 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 -85.22 -68.04 0.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 74.2 110.841 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -94.58 26.86 3.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 71.33 110.909 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.25 -16.19 17.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 72.04 110.864 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.2 m -50.54 142.45 10.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 75.02 110.88 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -66.23 174.36 2.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 74.33 110.87 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.34 168.04 20.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 71.55 110.842 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -113.3 -150.62 10.68 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.72 -0.752 . . . . 54.45 112.495 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.62 -34.72 40.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.843 0.354 . . . . 74.35 110.894 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 5.1 mmt -127.25 -40.86 1.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 75.43 110.893 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -132.53 176.75 8.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 75.1 110.864 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -82.08 145.73 30.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 74.21 110.916 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -72.66 158.17 36.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.294 -0.412 . . . . 74.21 110.909 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.7 p -115.87 147.99 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 75.02 111.164 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 33.5 t -89.74 128.06 36.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 72.13 110.903 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -116.18 128.09 55.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 75.21 110.922 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 62.8 m -109.36 143.81 38.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 71.32 110.852 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -145.13 152.57 40.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 74.22 110.924 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -131.0 154.73 82.11 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.636 0.732 . . . . 71.32 110.951 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 74.54 1.29 Allowed 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.646 2.231 . . . . 62.13 112.342 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 57.05 23.9 8.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 62.33 110.898 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 165.02 149.19 5.74 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.699 -0.762 . . . . 71.4 112.471 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.5 pm0 -95.87 28.58 3.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.867 0.365 . . . . 64.2 110.943 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -110.16 15.99 22.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.119 -0.491 . . . . 73.21 110.876 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -128.2 -75.11 0.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 72.02 110.935 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.4 m -155.1 138.25 15.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 72.44 111.144 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.85 114.16 27.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 75.52 110.913 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 20.7 t -106.0 118.97 54.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 73.1 111.12 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.7 m -121.05 148.58 43.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 71.02 110.874 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.8 p -149.98 151.4 33.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 75.45 110.9 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 t -74.61 128.06 34.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 73.12 110.861 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -136.99 -176.82 4.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 72.23 110.891 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -95.13 145.18 29.07 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.589 0.709 . . . . 63.22 110.954 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 170.7 15.93 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.702 2.268 . . . . 75.24 112.373 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.35 -30.02 62.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 75.21 110.977 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.95 -56.85 8.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 72.41 110.854 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -57.89 -42.95 85.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 71.31 110.957 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.3 mttt -60.06 -61.16 2.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 74.11 110.934 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 42.5 mt -56.08 -45.81 80.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 63.31 111.149 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.58 -55.26 34.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.1 -0.5 . . . . 71.32 111.099 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -55.83 -44.0 77.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 73.4 110.919 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.1 mmtt -57.28 -46.55 83.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 74.32 110.835 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 37.3 mt -62.42 -55.39 24.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 74.24 111.055 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 43.7 mm -53.11 -41.79 43.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 70.44 111.154 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -62.31 -56.75 15.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 72.11 110.808 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.63 -25.54 66.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 63.32 110.971 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 75.54 111.06 179.835 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.883 0.373 . . . . 64.25 111.051 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 29.6 p -100.02 -174.16 2.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 73.21 110.818 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.1 m -109.6 82.98 2.42 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.569 0.7 . . . . 74.14 111.113 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -69.87 -172.06 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.647 2.231 . . . . 75.41 112.262 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.3 tp -65.37 143.24 57.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 75.4 110.888 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.5 mt 65.41 51.26 1.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 75.2 110.897 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -145.49 165.58 28.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 64.13 110.814 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -66.25 111.69 3.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 64.55 110.885 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.2 p -113.93 6.52 16.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 71.42 110.916 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.42 -48.47 56.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.098 -0.501 . . . . 72.32 110.904 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -94.28 18.35 11.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.076 -0.511 . . . . 71.5 110.869 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -150.3 98.22 2.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 75.23 110.846 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.5 mtm-85 -76.25 -74.51 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 74.2 110.925 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -100.95 28.4 5.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 71.33 110.83 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -96.18 -10.84 27.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 72.04 110.869 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.3 m -51.3 156.67 1.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 75.02 110.869 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.9 m -67.32 153.95 42.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 74.33 110.862 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -79.92 152.46 29.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 71.55 110.919 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -100.22 -171.33 29.67 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.759 -0.734 . . . . 54.45 112.513 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -77.08 -26.68 53.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.807 0.337 . . . . 74.35 110.868 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.8 mmt -118.48 -49.64 2.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.429 . . . . 75.43 110.924 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -146.33 142.27 28.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 75.1 110.865 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.94 164.33 0.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.49 . . . . 74.21 110.949 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -89.18 162.18 16.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 74.21 110.998 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.7 p -114.99 148.77 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 75.02 111.14 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 29.5 t -93.62 123.63 37.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 72.13 110.881 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -108.22 127.84 54.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.221 -0.445 . . . . 75.21 110.94 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 51.9 m -109.73 141.91 41.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 71.32 110.887 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -145.5 172.72 12.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 74.22 110.864 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -144.13 153.96 57.22 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.705 0.764 . . . . 71.32 110.916 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 74.33 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.746 2.297 . . . . 62.13 112.311 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 56.69 24.44 8.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 62.33 110.921 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 174.52 127.71 1.03 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.72 -0.753 . . . . 71.4 112.472 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -77.46 -5.74 51.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.833 0.349 . . . . 64.2 110.849 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.92 24.22 5.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 73.21 110.901 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.0 mttm -123.54 -74.76 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 72.02 110.881 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.5 m -151.55 132.61 14.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.247 -0.433 . . . . 72.44 111.155 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -91.87 111.06 22.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 75.52 110.92 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.1 t -112.82 115.07 48.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 73.1 111.067 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 16.6 m -116.14 152.14 34.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 71.02 110.919 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.3 p -150.07 146.08 26.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 75.45 110.942 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 t -70.83 131.18 43.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 73.12 110.839 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -143.34 177.83 8.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 72.23 110.869 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -95.3 146.51 31.44 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.601 0.715 . . . . 63.22 110.858 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 166.73 26.61 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.664 2.243 . . . . 75.24 112.369 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.5 -28.3 44.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 75.21 110.877 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.5 m -69.08 -57.26 5.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 72.41 110.844 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.14 -37.71 75.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 71.31 110.814 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt -65.36 -61.4 2.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 74.11 110.845 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 38.0 mt -55.73 -51.02 63.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 63.31 111.142 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.28 -50.96 66.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 71.32 111.068 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -57.86 -40.62 80.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.977 0.417 . . . . 73.4 110.91 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.74 -45.78 92.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.077 -0.51 . . . . 74.32 110.948 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 57.3 mt -61.95 -55.45 24.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 74.24 111.195 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 50.4 mm -55.54 -43.61 73.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 70.44 111.111 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.37 -47.87 80.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 72.11 110.934 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.55 -43.4 97.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 63.32 110.93 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 75.54 111.117 179.795 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.785 0.326 . . . . 64.25 111.127 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m -98.22 163.09 12.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 73.21 110.889 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 98.6 m -120.36 82.09 31.23 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.525 0.679 . . . . 74.14 111.137 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.83 -170.56 0.4 Allowed 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.625 2.217 . . . . 75.41 112.367 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.9 tp -61.2 147.34 44.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 75.4 110.875 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.8 mt 64.8 56.26 1.14 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 75.2 110.919 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -145.25 167.69 22.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 64.13 110.859 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -76.27 120.59 21.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 64.55 110.847 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.2 p -130.27 3.45 4.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 71.42 110.901 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.4 t -60.79 -24.49 65.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 72.32 110.816 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -79.73 -19.58 48.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.074 -0.512 . . . . 71.5 110.814 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -166.06 124.49 1.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 75.23 110.852 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.7 mtt180 -78.88 -16.33 57.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 74.2 110.853 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -108.79 27.84 9.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.487 . . . . 71.33 110.851 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.7 m -89.21 -40.06 13.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 72.04 110.864 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 83.5 m -52.52 131.63 34.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 75.02 110.909 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 50.5 m -80.5 170.05 16.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 74.33 110.867 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -80.2 157.16 26.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 71.55 110.883 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -116.4 148.46 18.88 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.742 -0.742 . . . . 54.45 112.531 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -51.74 -29.88 20.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.755 0.312 . . . . 74.35 110.855 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 17.1 mtm -100.62 -57.0 2.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 75.43 110.94 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -145.71 156.19 43.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 75.1 110.88 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.3 ttpt -84.75 143.51 29.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 74.21 110.879 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -90.54 148.27 22.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 74.21 110.923 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -120.2 176.4 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 75.02 111.163 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.9 t -100.72 115.43 30.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 72.13 110.919 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.65 117.84 35.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 75.21 110.86 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 64.3 m -99.84 154.04 18.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 71.32 110.893 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -143.13 143.31 31.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 74.22 110.898 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -115.13 77.52 5.23 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.671 0.748 . . . . 71.32 110.945 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 76.59 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.689 2.259 . . . . 62.13 112.364 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 65.62 30.49 10.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 62.33 110.897 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -164.75 72.51 0.18 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.726 -0.75 . . . . 71.4 112.496 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -65.72 -62.34 1.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.881 0.372 . . . . 64.2 110.898 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.93 27.57 4.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.498 . . . . 73.21 110.823 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -122.66 -52.47 1.91 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.266 -0.425 . . . . 72.02 110.935 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -159.39 105.57 1.69 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 72.44 111.133 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -100.1 136.31 40.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 75.52 110.826 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.4 t -109.65 118.9 57.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 73.1 111.113 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 34.3 m -119.28 137.02 53.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 71.02 110.86 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.7 p -141.95 158.56 43.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 75.45 110.868 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 2.0 t -69.87 114.91 8.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 73.12 110.853 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -145.11 -179.92 6.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 72.23 110.888 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -89.23 141.67 29.34 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.552 0.692 . . . . 63.22 110.89 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 151.48 68.82 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.671 2.247 . . . . 75.24 112.327 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.68 -25.17 38.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 75.21 110.914 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.59 -53.15 24.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 72.41 110.872 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -66.29 -32.87 74.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.493 . . . . 71.31 110.869 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.81 -47.07 64.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 74.11 110.888 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 16.6 mm -63.47 -46.74 94.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 63.31 111.124 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.5 -53.34 57.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 71.32 111.103 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.92 -44.94 74.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 73.4 110.887 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.3 mptt -58.95 -52.43 65.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 74.32 110.925 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 22.8 mt -55.12 -57.83 6.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 74.24 111.116 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 43.4 mm -52.5 -51.55 33.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 70.44 111.133 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -52.37 -49.74 63.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 72.11 110.889 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.1 tptm -65.13 -31.29 72.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 63.32 110.887 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 75.54 111.154 179.826 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.861 0.363 . . . . 64.25 111.093 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.9 p -129.4 -174.11 3.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 73.21 110.906 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 26.3 m -109.19 84.0 2.62 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.618 0.723 . . . . 74.14 111.152 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -169.85 0.36 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.737 2.291 . . . . 75.41 112.267 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 21.4 tp -65.7 146.28 54.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 75.4 110.929 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.5 mt 59.19 52.91 5.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 75.2 110.917 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -144.13 166.21 25.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 64.13 110.897 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -65.14 106.55 1.32 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.292 -0.413 . . . . 64.55 110.831 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.7 p -107.1 2.53 25.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 71.42 110.948 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.8 t -51.6 -46.31 63.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 72.32 110.883 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 41.7 m-70 -94.01 13.29 23.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 71.5 110.826 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -154.8 92.72 1.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 75.23 110.925 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 70.3 mtm180 -75.76 -74.94 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 74.2 110.831 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -93.87 25.38 3.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 71.33 110.81 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 m -100.34 -8.64 23.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 72.04 110.835 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.4 m -50.79 157.43 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 75.02 110.886 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 17.4 m -66.89 152.77 45.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 74.33 110.882 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.1 ttp85 -79.83 149.55 30.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 71.55 110.912 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -98.8 -172.27 31.69 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.803 -0.713 . . . . 54.45 112.448 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -75.52 -29.2 59.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.829 0.347 . . . . 74.35 110.815 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -112.8 -52.44 2.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 75.43 110.829 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -145.98 147.86 32.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 75.1 110.835 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.3 pttt -52.41 166.51 0.18 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.093 -0.503 . . . . 74.21 110.871 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -89.68 159.23 17.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 74.21 110.938 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -115.42 138.82 44.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 75.02 111.14 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.1 t -87.38 132.95 33.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 72.13 110.935 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -119.83 131.33 55.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 75.21 110.897 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 25.2 m -108.33 153.9 22.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 71.32 110.874 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -145.14 160.28 41.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 74.22 110.896 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -132.74 78.97 65.28 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.686 0.755 . . . . 71.32 110.942 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 77.67 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.707 2.271 . . . . 62.13 112.355 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 63.04 30.89 16.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.3 -0.409 . . . . 62.33 110.881 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -164.44 65.39 0.23 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.783 -0.722 . . . . 71.4 112.544 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.1 -42.07 48.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.891 0.377 . . . . 64.2 110.875 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -95.56 14.19 23.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 73.21 110.897 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.93 -63.88 1.39 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 72.02 110.875 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -160.41 102.62 1.39 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 72.44 111.173 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.73 136.68 40.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 75.52 110.813 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.3 t -103.69 115.85 46.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 73.1 111.137 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 18.9 m -117.3 148.81 41.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 71.02 110.88 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.5 p -150.02 147.57 27.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 75.45 110.842 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 t -70.67 132.9 46.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 73.12 110.957 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -140.19 173.7 11.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 72.23 110.896 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -94.98 144.89 28.56 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.686 0.755 . . . . 63.22 110.892 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.72 171.08 15.08 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.677 2.252 . . . . 75.24 112.413 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.09 -30.05 65.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.231 -0.441 . . . . 75.21 110.902 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.7 t -67.5 -55.87 11.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 72.41 110.795 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.24 -40.72 86.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 71.31 110.86 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.5 mtpt -61.96 -59.62 4.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 74.11 110.878 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 44.9 mt -57.22 -50.91 75.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 63.31 111.154 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.67 -51.22 63.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 71.32 111.09 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -57.4 -43.09 83.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 73.4 110.821 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.93 -52.79 64.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 74.32 110.896 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 50.0 mm -57.21 -48.32 82.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 74.24 111.05 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 38.1 mt -57.47 -46.62 85.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 70.44 111.169 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -60.86 -49.7 76.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 72.11 110.869 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.86 -29.97 71.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 63.32 110.916 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 75.54 111.137 179.836 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.891 0.377 . . . . 64.25 111.121 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 29.3 p -122.6 -174.08 2.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 73.21 110.917 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.5 m -109.69 83.08 2.53 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.715 0.769 . . . . 74.14 111.138 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -172.71 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.676 2.251 . . . . 75.41 112.355 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.1 tp -65.24 143.62 57.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 75.4 110.925 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.5 mt 66.05 51.01 1.36 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 75.2 110.933 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -145.3 165.17 29.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 64.13 110.844 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.43 109.35 3.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 64.55 110.866 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.0 p -110.27 9.56 23.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 71.42 110.928 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.57 -48.61 57.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 72.32 110.808 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -94.81 20.16 9.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 71.5 110.819 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -149.84 98.41 2.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 75.23 110.852 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 72.8 mtm180 -74.07 -74.12 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 74.2 110.93 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -104.02 24.45 11.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 71.33 110.88 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.7 m -89.71 -10.32 46.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 72.04 110.845 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.8 m -51.29 156.76 1.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.115 -0.493 . . . . 75.02 110.908 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.4 m -68.09 153.61 43.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 74.33 110.876 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.87 152.61 29.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 71.55 110.887 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -100.53 -173.83 29.65 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.715 -0.755 . . . . 54.45 112.561 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.13 -33.76 65.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.793 0.33 . . . . 74.35 110.877 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.6 mpt? -107.2 -52.41 2.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 75.43 110.879 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -143.58 165.98 26.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 75.1 110.819 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.13 159.53 33.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 74.21 110.843 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -86.05 166.17 16.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 74.21 110.906 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.6 p -117.23 148.66 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.068 -0.515 . . . . 75.02 111.085 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 31.0 t -96.29 116.29 28.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 72.13 110.878 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -95.75 154.47 17.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 75.21 110.842 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 72.1 m -139.98 138.2 35.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 71.32 110.877 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -145.5 177.06 9.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 74.22 110.93 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -143.87 153.61 57.66 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.675 0.75 . . . . 71.32 110.941 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 74.44 1.29 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.635 2.223 . . . . 62.13 112.328 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 56.89 24.22 9.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.279 -0.418 . . . . 62.33 110.779 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 173.22 127.34 0.97 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.716 -0.754 . . . . 71.4 112.402 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.05 -9.75 58.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.801 0.334 . . . . 64.2 110.856 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -86.33 4.95 36.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.128 -0.487 . . . . 73.21 110.864 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -104.15 -75.03 0.63 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 72.02 110.905 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 32.3 m -154.12 144.82 22.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 72.44 111.11 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -99.87 115.97 30.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 75.52 110.905 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.3 t -112.89 116.31 52.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 73.1 111.132 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 49.3 m -116.79 150.25 38.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 71.02 110.811 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.4 p -150.2 149.14 29.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 75.45 110.898 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 t -73.08 128.26 34.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 73.12 110.933 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -140.65 178.71 7.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.095 -0.502 . . . . 72.23 110.91 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 11.7 pm0 -95.54 146.96 32.25 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.592 0.71 . . . . 63.22 110.917 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 166.17 28.56 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.687 2.258 . . . . 75.24 112.3 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.04 -35.83 62.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 75.21 110.91 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.6 -52.2 64.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.288 -0.415 . . . . 72.41 110.939 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.3 -43.32 88.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 71.31 110.838 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt -58.44 -57.81 11.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 74.11 110.879 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 31.2 mt -53.1 -49.99 47.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.291 -0.413 . . . . 63.31 111.201 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.34 -53.48 44.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.084 -0.507 . . . . 71.32 111.022 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -55.44 -46.25 76.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 73.4 110.897 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.9 mtpp -56.95 -48.9 77.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 74.32 110.952 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 48.1 mt -58.03 -58.18 7.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 74.24 111.088 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 44.3 mm -51.66 -51.92 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 70.44 111.175 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -52.09 -49.93 62.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 72.11 110.9 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -58.19 -41.26 83.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 63.32 110.907 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 75.54 111.115 179.736 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.851 0.358 . . . . 64.25 111.049 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.37 -175.55 2.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 73.21 110.878 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 86.6 m -139.06 88.04 13.6 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.593 0.711 . . . . 74.14 111.097 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -172.61 0.59 Allowed 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.742 2.294 . . . . 75.41 112.331 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.3 tp -64.68 142.64 58.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 75.4 110.919 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.4 mt 66.09 53.16 1.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 75.2 110.927 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -143.66 167.49 22.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 64.13 110.892 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -74.21 120.79 20.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 64.55 110.849 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.9 p -132.81 6.23 3.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 71.42 110.84 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.6 t -58.09 -26.25 62.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 72.32 110.883 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -80.23 -20.06 45.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.088 -0.506 . . . . 71.5 110.846 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -164.29 120.85 1.61 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 75.23 110.818 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 66.2 mtp180 -85.09 -21.81 29.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 74.2 110.926 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -102.51 25.11 9.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 71.33 110.828 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 44.2 p -99.17 -30.97 11.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 72.04 110.893 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 54.3 m -52.11 133.21 33.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.13 -0.486 . . . . 75.02 110.873 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -52.71 171.89 0.05 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 74.33 110.849 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.72 167.92 19.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 71.55 110.82 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -113.86 164.43 12.06 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 54.45 112.481 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.82 -35.36 44.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.776 0.322 . . . . 74.35 110.852 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 7.1 mmt -118.54 -44.61 2.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.448 . . . . 75.43 110.919 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -144.56 142.35 30.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 75.1 110.869 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.72 157.75 0.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 74.21 110.944 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -75.73 163.98 26.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 74.21 110.97 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.9 p -116.0 148.94 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 75.02 111.141 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 47.5 t -99.95 112.58 24.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 72.13 110.912 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -91.39 152.77 20.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 75.21 110.833 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.8 m -135.03 151.17 50.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 71.32 110.904 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -145.14 155.46 43.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 74.22 110.9 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -126.71 77.82 73.62 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.705 0.764 . . . . 71.32 110.881 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 77.3 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.618 2.212 . . . . 62.13 112.303 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 65.75 30.22 10.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 62.33 110.947 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -169.32 76.28 0.11 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.769 -0.729 . . . . 71.4 112.495 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -92.77 -24.63 18.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.899 0.38 . . . . 64.2 110.862 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -108.59 26.19 10.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 73.21 110.878 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.1 ptpt -139.85 -49.62 0.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 72.02 110.926 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.6 m -161.91 115.8 1.87 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.296 -0.411 . . . . 72.44 111.121 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -96.21 131.92 42.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 75.52 110.818 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 13.0 t -95.83 112.21 27.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.117 -0.492 . . . . 73.1 111.096 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 44.2 m -117.45 150.5 38.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 71.02 110.911 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.9 p -148.89 154.24 39.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.193 -0.458 . . . . 75.45 110.848 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 t -73.75 129.59 38.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.081 -0.508 . . . . 73.12 110.868 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -143.52 173.43 11.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 72.23 110.908 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -95.28 147.15 32.56 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.622 0.725 . . . . 63.22 110.906 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 164.18 35.45 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.671 2.247 . . . . 75.24 112.32 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.63 -32.22 28.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 75.21 110.932 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.83 -58.32 5.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 72.41 110.848 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -57.13 -32.35 66.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.491 . . . . 71.31 110.813 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.05 -51.11 42.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 74.11 110.887 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 55.9 mt -60.62 -35.8 66.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 63.31 111.098 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.83 -55.26 13.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 71.32 111.111 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -59.89 -31.15 69.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 73.4 110.917 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -69.54 -58.83 3.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 74.32 110.919 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 46.7 mt -55.73 -45.59 79.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 74.24 111.206 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 39.4 mt -62.78 -48.58 87.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.073 -0.512 . . . . 70.44 111.137 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -57.37 -46.48 83.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.157 -0.474 . . . . 72.11 110.832 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.6 ttpp -61.84 -47.82 83.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 63.32 110.912 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 75.54 111.085 179.797 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.891 0.377 . . . . 64.25 111.033 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 30.5 p -103.86 -174.12 2.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 73.21 110.901 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 27.1 m -109.73 82.35 2.27 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.524 0.678 . . . . 74.14 111.074 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 -167.39 0.23 Allowed 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.693 2.262 . . . . 75.41 112.339 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.7 tp -62.26 140.72 58.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 75.4 110.93 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.1 mt 65.99 54.94 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 75.2 110.845 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -146.77 166.1 27.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.28 -0.418 . . . . 64.13 110.846 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -73.87 121.22 20.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 64.55 110.821 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.0 p -133.01 6.57 3.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 71.42 110.886 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.1 t -57.75 -23.33 51.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 72.32 110.893 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -80.25 -20.28 44.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.499 . . . . 71.5 110.88 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -165.49 123.57 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 75.23 110.881 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -85.13 -15.53 43.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 74.2 110.855 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -110.01 20.01 18.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 71.33 110.864 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.3 p -100.08 -22.25 15.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 72.04 110.854 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 m -51.91 156.56 1.47 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 75.02 110.856 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 12.8 m -68.58 156.68 37.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 74.33 110.877 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -80.22 156.44 26.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 71.55 110.948 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -105.02 -173.8 24.41 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.816 -0.707 . . . . 54.45 112.496 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -76.37 -23.49 54.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.769 0.319 . . . . 74.35 110.914 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -126.05 -45.98 1.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 75.43 110.865 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -145.91 140.99 27.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 75.1 110.914 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -53.9 155.53 3.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 74.21 111.003 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -70.6 161.73 30.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.29 -0.414 . . . . 74.21 110.959 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.2 m -112.2 140.0 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 75.02 111.133 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 39.0 t -89.05 109.65 20.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 72.13 110.889 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -89.88 155.9 18.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.473 . . . . 75.21 110.805 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 68.8 m -136.81 138.56 40.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 71.32 110.897 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -145.41 -178.9 6.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 74.22 110.9 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -143.57 153.95 59.16 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.689 0.757 . . . . 71.32 110.898 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.69 74.47 1.26 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.687 2.258 . . . . 62.13 112.36 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 53.1 28.59 7.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 62.33 110.867 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 177.06 124.98 0.87 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.694 -0.765 . . . . 71.4 112.409 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.02 -15.91 61.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.824 0.345 . . . . 64.2 110.838 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -94.7 38.68 1.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 73.21 110.926 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -132.96 -74.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 72.02 110.868 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 30.2 m -157.0 135.95 11.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.452 . . . . 72.44 111.113 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -93.31 112.49 24.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 75.52 110.905 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.2 t -112.55 119.79 61.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 73.1 111.061 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 57.1 m -113.9 151.11 32.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 71.02 110.827 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.3 p -148.47 154.74 40.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.089 -0.505 . . . . 75.45 110.82 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 t -73.13 125.54 27.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.515 . . . . 73.12 110.853 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -140.75 172.08 13.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 72.23 110.979 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -95.57 147.41 32.97 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.572 0.701 . . . . 63.22 110.921 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 145.48 57.18 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.649 2.233 . . . . 75.24 112.382 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.01 -19.11 60.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 75.21 110.928 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.15 -55.83 10.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 72.41 110.865 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.77 -34.11 73.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 71.31 110.81 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.03 -54.9 26.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 74.11 110.844 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 66.1 mt -65.11 -44.01 95.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 63.31 111.064 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.03 -50.64 73.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 71.32 111.057 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -61.02 -47.35 86.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 73.4 110.905 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp -54.56 -52.18 62.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 74.32 110.842 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 29.4 mt -57.26 -53.53 42.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 74.24 111.139 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 47.9 mt -56.46 -41.96 73.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 70.44 111.099 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -59.01 -60.42 3.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 72.11 110.88 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -61.39 -25.48 67.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 63.32 110.91 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 75.54 111.101 179.834 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.869 0.366 . . . . 64.25 111.099 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m -132.7 161.73 33.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 73.21 110.879 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 96.8 m -116.57 81.0 10.89 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.542 0.687 . . . . 74.14 111.181 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -168.43 0.28 Allowed 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.638 2.225 . . . . 75.41 112.355 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 19.8 tp -60.88 150.52 32.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 75.4 110.939 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 26.0 mt 59.94 58.3 2.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.142 -0.481 . . . . 75.2 110.906 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -145.6 167.75 22.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 64.13 110.855 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -77.35 118.7 20.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 64.55 110.843 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.9 p -132.14 6.53 4.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 71.42 110.856 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.5 t -61.0 -26.45 67.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.421 . . . . 72.32 110.891 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -79.84 -15.21 57.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 71.5 110.859 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -170.39 113.97 0.46 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.176 -0.465 . . . . 75.23 110.89 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.3 mtm180 -72.55 -14.52 61.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 74.2 110.832 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -107.37 24.45 12.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 71.33 110.832 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -87.22 -39.85 15.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 72.04 110.788 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 98.7 m -51.75 133.0 31.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 75.02 110.88 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 99.2 m -79.83 165.75 22.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 74.33 110.842 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -79.45 151.69 30.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 71.55 110.87 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -96.82 -159.32 31.59 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.756 -0.735 . . . . 54.45 112.53 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.57 -35.15 46.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.755 0.312 . . . . 74.35 110.867 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 43.7 mtt -99.91 -63.7 1.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 75.43 110.887 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -136.02 172.14 13.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 75.1 110.913 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -81.17 158.03 25.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.492 . . . . 74.21 110.93 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -88.47 164.28 15.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 74.21 110.899 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.1 p -119.15 149.79 21.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 75.02 111.151 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.5 t -95.18 113.06 24.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 72.13 110.867 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -90.34 153.5 20.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 75.21 110.871 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 93.7 m -138.96 138.56 37.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 71.32 110.871 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -145.34 175.7 10.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 74.22 110.906 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -143.89 153.6 57.6 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.666 0.746 . . . . 71.32 110.891 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 73.99 1.32 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.679 2.253 . . . . 62.13 112.352 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 56.63 24.35 8.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.48 . . . . 62.33 110.845 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 175.6 125.71 0.89 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.76 -0.733 . . . . 71.4 112.505 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -77.93 -7.04 56.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.867 0.365 . . . . 64.2 110.915 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -92.65 14.85 15.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 73.21 110.84 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -114.57 -74.62 0.61 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.256 -0.429 . . . . 72.02 110.865 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.5 m -151.35 140.57 21.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.212 -0.449 . . . . 72.44 111.11 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.58 114.32 27.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 75.52 110.859 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.6 t -112.08 116.55 52.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 73.1 111.19 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 59.7 m -116.67 150.61 37.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 71.02 110.909 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -150.28 153.54 36.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 75.45 110.917 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 t -69.32 128.23 35.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 73.12 110.93 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -139.99 171.74 13.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 72.23 110.945 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -95.56 147.24 32.69 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.6 0.714 . . . . 63.22 110.923 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 166.11 28.7 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.684 2.256 . . . . 75.24 112.357 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.47 -36.82 62.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 75.21 110.933 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.7 -51.2 68.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 72.41 110.853 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -59.35 -40.24 85.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.101 -0.499 . . . . 71.31 110.871 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.14 -48.5 79.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 74.11 110.936 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 32.3 mm -62.47 -59.4 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 63.31 111.199 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.58 -35.71 54.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 71.32 111.078 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -65.8 -51.78 56.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 73.4 110.863 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.8 ptmt -61.31 -30.96 70.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 74.32 110.893 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 34.2 mt -70.58 -60.26 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 74.24 111.142 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 42.0 mm -55.89 -42.44 70.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.264 -0.425 . . . . 70.44 111.141 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -64.52 -53.12 53.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 72.11 110.891 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -60.71 -28.2 68.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 63.32 110.938 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 75.54 111.012 179.9 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.782 0.325 . . . . 64.25 111.1 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 30.5 p -121.1 -174.26 2.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 73.21 110.876 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.4 m -109.56 82.84 2.34 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.543 0.687 . . . . 74.14 111.139 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -171.47 0.47 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.635 2.223 . . . . 75.41 112.378 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.3 tp -65.42 142.06 58.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 75.4 110.875 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.6 mt 66.2 50.93 1.31 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 75.2 110.932 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -144.52 165.34 28.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 64.13 110.879 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.34 115.73 6.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.426 . . . . 64.55 110.853 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.1 p -119.28 8.2 11.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 71.42 110.878 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.67 -46.68 58.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 72.32 110.804 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 35.5 m170 -96.58 20.32 10.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 71.5 110.817 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -149.57 101.39 3.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 75.23 110.889 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 73.8 mtm180 -77.22 -69.74 0.51 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 74.2 110.854 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -106.67 26.2 10.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 71.33 110.908 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.94 -11.84 37.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 72.04 110.789 -179.714 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.7 m -51.64 156.64 1.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 75.02 110.952 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 13.0 m -68.32 151.37 47.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 74.33 110.818 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -80.27 152.02 29.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 71.55 110.901 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -99.88 -171.64 30.14 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.83 -0.7 . . . . 54.45 112.505 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -73.71 -35.13 65.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.737 0.303 . . . . 74.35 110.817 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -104.04 -51.44 3.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 75.43 110.935 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -145.83 172.47 13.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.463 . . . . 75.1 110.899 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.28 159.18 30.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 74.21 110.874 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -84.81 167.44 16.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 74.21 110.926 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.1 p -117.0 149.58 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 75.02 111.15 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 29.4 t -97.87 120.54 38.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 72.13 110.877 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.62 156.03 17.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 75.21 110.841 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 55.7 m -136.19 135.79 39.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 71.32 110.92 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -145.6 -175.85 4.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 74.22 110.899 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -144.19 153.08 55.89 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.643 0.735 . . . . 71.32 110.925 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 74.97 1.24 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.672 2.248 . . . . 62.13 112.31 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 59.25 23.52 11.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.423 . . . . 62.33 110.887 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 169.78 131.82 1.37 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.755 -0.736 . . . . 71.4 112.547 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -95.1 28.22 2.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.868 0.366 . . . . 64.2 110.888 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -110.32 25.4 11.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 73.21 110.841 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.55 -62.1 0.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 72.02 110.907 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.1 m -161.63 148.87 14.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 72.44 111.132 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -100.39 121.72 41.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.217 -0.447 . . . . 75.52 110.935 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 14.2 t -105.57 113.87 43.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 73.1 111.109 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 48.5 m -110.62 150.35 29.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 71.02 110.845 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.4 p -150.18 150.3 31.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 75.45 110.879 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 t -72.47 129.98 39.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 73.12 110.93 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -140.9 174.63 10.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 72.23 110.931 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -94.66 146.3 31.19 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.58 0.705 . . . . 63.22 110.944 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.85 168.09 22.66 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.671 2.247 . . . . 75.24 112.298 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.99 -41.0 82.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 75.21 110.902 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 51.4 p -63.5 -37.6 87.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 72.41 110.851 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -65.79 -56.58 11.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 71.31 110.892 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -57.93 -45.04 87.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 74.11 110.829 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 25.7 mm -64.56 -50.64 74.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 63.31 111.131 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.63 -51.09 61.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 71.32 111.09 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.99 -44.96 95.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 73.4 110.858 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.03 -50.12 67.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 74.32 110.88 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 43.0 mm -62.88 -54.28 35.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 74.24 111.117 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 30.9 mt -51.94 -41.33 30.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.451 . . . . 70.44 111.15 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -67.64 -43.75 79.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.186 -0.461 . . . . 72.11 110.896 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.83 -32.54 74.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 63.32 110.882 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.293 -0.412 . . . . 75.54 111.058 179.821 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.829 0.347 . . . . 64.25 111.058 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m -117.85 160.66 21.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 73.21 110.907 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 98.0 m -114.57 80.22 6.08 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.583 0.706 . . . . 74.14 111.152 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -168.34 0.27 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.679 2.253 . . . . 75.41 112.342 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 20.1 tp -60.67 150.1 33.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 75.4 110.941 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 26.5 mt 59.95 58.64 2.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 75.2 110.89 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -144.96 167.56 22.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 64.13 110.895 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -78.0 119.44 21.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 64.55 110.855 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.9 p -133.07 6.43 3.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 71.42 110.815 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.9 t -59.73 -26.06 65.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 72.32 110.843 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -79.72 -19.83 47.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 71.5 110.878 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -165.87 116.0 1.02 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 75.23 110.883 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 31.8 mtm-85 -71.82 -19.95 61.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 74.2 110.9 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -102.02 24.64 9.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 71.33 110.844 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -84.58 -41.32 16.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.203 -0.453 . . . . 72.04 110.85 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 88.3 m -51.78 133.65 31.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 75.02 110.904 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 92.8 m -79.72 164.42 23.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 74.33 110.828 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -80.0 150.17 30.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 71.55 110.868 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -97.85 -164.77 31.48 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.702 -0.761 . . . . 54.45 112.459 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -79.94 -29.16 39.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.736 0.303 . . . . 74.35 110.837 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -105.18 -61.36 1.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 75.43 110.834 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -146.23 139.45 25.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 75.1 110.881 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.02 160.76 2.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 74.21 110.879 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -90.45 167.5 12.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 74.21 110.892 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.7 p -121.71 148.43 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.088 -0.506 . . . . 75.02 111.097 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.5 t -91.9 112.69 24.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 72.13 110.873 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -90.43 154.9 19.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 75.21 110.853 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 87.1 m -140.0 139.77 36.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 71.32 110.918 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -145.27 175.41 10.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 74.22 110.866 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -144.38 153.96 56.34 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.684 0.754 . . . . 71.32 110.917 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 75.08 1.23 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.669 2.246 . . . . 62.13 112.351 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 55.71 26.93 9.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.244 -0.434 . . . . 62.33 110.92 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 169.54 132.45 1.45 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.736 -0.745 . . . . 71.4 112.464 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -80.99 -1.02 42.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.796 0.332 . . . . 64.2 110.879 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -96.74 25.39 5.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.177 -0.465 . . . . 73.21 110.859 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.8 mptt -127.79 -75.17 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 72.02 110.893 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.1 m -151.63 139.86 20.31 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.227 -0.442 . . . . 72.44 111.037 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.02 111.41 23.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 75.52 110.901 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 20.0 t -108.05 118.55 55.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 73.1 111.071 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 62.6 m -119.0 148.48 42.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 71.02 110.89 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.4 p -150.35 154.39 37.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 75.45 110.901 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 t -69.28 127.49 33.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 73.12 110.872 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -140.81 171.41 14.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 72.23 110.932 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -95.22 145.16 29.05 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.589 0.709 . . . . 63.22 110.969 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.65 144.41 54.52 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.696 2.264 . . . . 75.24 112.366 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.84 -19.66 52.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 75.21 110.871 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.26 -58.9 3.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 72.41 110.852 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -35.54 80.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 71.31 110.94 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.0 mtpt -63.7 -62.68 1.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 74.11 110.904 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 50.6 mt -56.27 -52.35 52.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.246 -0.434 . . . . 63.31 111.122 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.73 -44.44 66.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.487 . . . . 71.32 111.151 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -65.59 -34.74 78.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 73.4 110.899 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.25 -33.8 67.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 74.32 110.888 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 97.3 mt -72.21 -47.44 53.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 74.24 111.123 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 49.6 mm -68.34 -41.52 83.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 70.44 111.13 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -66.41 -52.09 50.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.091 -0.504 . . . . 72.11 110.876 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.62 -40.34 94.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 63.32 110.824 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.276 -0.42 . . . . 75.54 111.112 179.887 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.854 0.359 . . . . 64.25 111.084 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.9 p -95.7 -173.91 3.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 73.21 110.901 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.7 m -110.23 80.71 1.98 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.564 0.697 . . . . 74.14 111.038 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -166.76 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.672 2.248 . . . . 75.41 112.339 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 15.1 tp -62.48 137.96 58.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 75.4 110.894 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.8 mt 66.85 56.2 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 75.2 110.919 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -145.12 168.42 20.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 64.13 110.874 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -79.76 121.09 24.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 64.55 110.907 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.4 p -123.88 8.71 8.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.284 -0.416 . . . . 71.42 110.872 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.6 t -58.3 -29.02 65.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 72.32 110.893 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 20.7 m-70 -79.59 -20.48 46.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 71.5 110.82 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -162.75 114.46 1.55 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 75.23 110.933 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.1 mtm180 -85.23 -4.81 59.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 74.2 110.867 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.4 m170 -120.77 17.66 11.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 71.33 110.817 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.4 m -100.36 -20.46 15.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 72.04 110.962 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 m -51.77 141.92 16.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.049 -0.523 . . . . 75.02 110.868 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -70.55 176.34 4.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 74.33 110.917 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.6 ttp180 -80.09 177.86 8.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 71.55 110.846 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -119.92 -175.48 15.73 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.815 -0.707 . . . . 54.45 112.459 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -71.35 -34.4 70.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.805 0.335 . . . . 74.35 110.87 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.5 mmt -119.42 -38.78 2.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 75.43 110.95 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -145.72 150.29 35.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 75.1 110.875 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -52.64 155.07 2.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 74.21 110.881 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -78.47 160.42 27.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 74.21 110.874 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.0 p -121.98 149.32 25.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.082 -0.508 . . . . 75.02 111.143 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 35.1 t -96.4 108.32 20.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 72.13 110.921 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -102.13 139.36 37.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.436 . . . . 75.21 110.876 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 57.4 m -123.16 128.06 49.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 71.32 110.883 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -145.75 149.86 35.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 74.22 110.906 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -84.2 153.12 62.57 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.672 0.749 . . . . 71.32 110.887 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 71.13 1.52 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.689 2.259 . . . . 62.13 112.364 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 50.87 29.7 4.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 62.33 110.886 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.66 145.09 4.44 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.677 -0.773 . . . . 71.4 112.47 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -83.93 70.21 10.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.871 0.367 . . . . 64.2 110.886 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.71 -72.09 0.19 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 73.21 110.906 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.55 -48.07 1.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 72.02 110.871 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -161.0 167.88 25.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 72.44 111.164 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -91.18 150.0 21.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 75.52 110.868 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 26.2 t -95.82 127.18 48.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 73.1 111.097 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 81.5 m -96.31 132.87 41.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 71.02 110.805 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.5 p -140.27 157.71 45.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 75.45 110.885 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.6 t -80.31 121.18 25.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 73.12 110.909 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -130.44 -177.62 4.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 72.23 110.907 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -94.09 154.92 40.54 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.592 0.71 . . . . 63.22 110.981 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 173.9 10.34 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.711 2.274 . . . . 75.24 112.323 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.31 -22.64 53.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 75.21 110.93 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.2 -56.21 4.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 72.41 110.837 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.96 -30.12 68.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 71.31 110.851 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.75 -55.12 8.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 74.11 110.836 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 77.9 mt -62.22 -44.02 98.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 63.31 111.116 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.67 -52.59 63.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 71.32 111.085 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -57.89 -40.34 80.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 73.4 110.836 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -60.63 -56.53 20.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 74.32 110.91 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 39.6 mm -55.03 -56.31 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 74.24 111.144 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 40.2 mm -53.89 -46.53 64.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 70.44 111.165 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -56.25 -53.83 52.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 72.11 110.877 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.1 ttmt -64.92 -23.44 67.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 63.32 110.872 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.421 . . . . 75.54 111.127 179.818 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.786 0.327 . . . . 64.25 111.086 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.2 m -100.48 161.8 13.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 73.21 110.875 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 97.6 m -114.88 80.09 6.4 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.63 0.729 . . . . 74.14 111.136 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -169.97 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.652 2.235 . . . . 75.41 112.318 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 25.2 tp -59.03 150.76 23.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 75.4 110.938 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 27.6 mt 59.9 59.87 2.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 75.2 110.882 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -145.32 168.35 20.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 64.13 110.815 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -78.59 118.01 20.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 64.55 110.857 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.5 p -126.83 1.39 6.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 71.42 110.875 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.4 t -57.6 -28.85 64.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 72.32 110.803 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 46.8 m170 -80.24 -20.24 45.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 71.5 110.821 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -160.7 120.17 2.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.423 . . . . 75.23 110.877 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 74.6 mtm180 -78.22 -19.39 53.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.458 . . . . 74.2 110.85 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.2 m-70 -108.16 26.75 10.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 71.33 110.855 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.2 p -84.38 -41.25 16.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 72.04 110.798 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 91.7 m -52.06 132.78 33.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 75.02 110.916 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 71.8 m -80.38 161.12 25.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 74.33 110.899 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.6 ttp180 -80.1 152.87 29.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.46 . . . . 71.55 110.911 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -114.07 140.39 16.3 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.79 -0.719 . . . . 54.45 112.505 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.75 -26.96 15.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.8 0.333 . . . . 74.35 110.862 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 51.1 mtm -103.01 -50.86 3.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 75.43 110.934 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -148.07 145.13 28.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 75.1 110.855 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -90.09 142.17 27.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 74.21 110.89 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -91.13 137.09 32.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 74.21 110.936 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.5 m -117.42 150.81 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 75.02 111.096 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 34.5 t -77.1 126.31 30.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 72.13 110.897 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -119.79 127.77 53.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 75.21 110.876 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 76.2 m -107.35 140.77 39.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 71.32 110.905 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -145.96 176.96 9.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.462 . . . . 74.22 110.945 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -138.25 151.94 70.57 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.674 0.75 . . . . 71.32 110.949 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.73 -0.79 7.39 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.695 2.264 . . . . 62.13 112.392 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 76.06 34.0 0.55 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 62.33 110.943 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -164.06 -34.62 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 71.4 112.486 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -101.8 79.18 1.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.818 0.342 . . . . 64.2 110.811 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -67.85 -10.59 54.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 73.21 110.823 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -98.96 19.77 14.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 72.02 110.921 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -159.75 104.08 1.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 72.44 111.201 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.8 135.6 40.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 75.52 110.908 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.7 t -106.38 115.14 47.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 73.1 111.102 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 34.3 m -108.67 141.28 40.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 71.02 110.908 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 74.8 p -149.01 157.39 43.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 75.45 110.917 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.7 t -68.92 121.17 16.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 73.12 110.901 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -142.99 169.4 17.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 72.23 110.959 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -87.07 146.02 39.5 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.631 0.729 . . . . 63.22 110.87 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 145.7 58.08 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.681 2.254 . . . . 75.24 112.384 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.24 -30.44 50.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.421 . . . . 75.21 110.836 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.01 -56.92 11.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.286 -0.415 . . . . 72.41 110.853 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 56.7 m170 -62.89 -30.81 71.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 71.31 110.915 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -64.52 -58.94 4.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 74.11 110.914 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.7 mt -60.15 -45.15 96.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 63.31 111.173 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.54 -52.35 63.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 71.32 111.127 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.92 -46.55 88.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 73.4 110.903 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.8 mmtm -55.89 -50.69 69.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 74.32 110.926 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 27.0 mt -58.25 -55.01 24.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 74.24 111.119 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 38.2 mt -52.28 -51.57 31.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.46 . . . . 70.44 111.119 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -58.35 -47.36 84.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.221 -0.445 . . . . 72.11 110.877 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -60.48 -32.08 71.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 63.32 110.9 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 75.54 111.119 179.813 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.826 0.346 . . . . 64.25 111.103 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.6 p -147.44 -174.08 4.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 73.21 110.869 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.9 m -109.43 83.26 2.44 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.549 0.69 . . . . 74.14 111.175 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -170.79 0.41 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.658 2.239 . . . . 75.41 112.351 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.1 tp -64.84 141.95 58.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 75.4 110.955 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.5 mt 65.81 52.02 1.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 75.2 110.932 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -144.85 165.64 27.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 64.13 110.8 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -67.51 103.77 1.41 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 64.55 110.808 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.8 p -104.59 5.25 33.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 71.42 110.931 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.0 t -50.44 -47.3 56.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 72.32 110.85 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -96.04 18.89 12.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 71.5 110.889 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -150.05 94.84 2.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 75.23 110.89 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.6 mtp85 -76.29 -70.46 0.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 74.2 110.85 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -102.08 25.51 8.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 71.33 110.83 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -97.03 -11.9 23.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.315 -0.402 . . . . 72.04 110.846 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.7 m -51.04 151.7 2.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.068 -0.515 . . . . 75.02 110.925 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 20.0 m -64.96 158.02 26.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 74.33 110.875 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -79.98 153.62 28.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 71.55 110.879 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -99.24 -175.7 31.6 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.715 -0.755 . . . . 54.45 112.453 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.96 -24.58 59.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.825 0.345 . . . . 74.35 110.843 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.4 -45.46 1.66 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 75.43 110.899 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -135.87 164.04 28.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 75.1 110.824 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.77 142.23 37.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.496 . . . . 74.21 110.906 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -70.42 145.54 50.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 74.21 110.925 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.4 p -106.97 150.14 9.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.09 -0.504 . . . . 75.02 111.141 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 28.9 t -91.6 125.09 36.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 72.13 110.848 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -107.99 119.83 40.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.481 . . . . 75.21 110.885 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 14.9 m -102.49 143.06 32.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 71.32 110.858 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -145.53 166.53 25.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 74.22 110.842 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -144.05 154.95 58.75 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.758 0.79 . . . . 71.32 110.88 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 74.4 1.32 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.684 2.256 . . . . 62.13 112.287 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 54.65 26.52 7.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 62.33 110.873 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 171.71 142.15 3.61 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.674 -0.774 . . . . 71.4 112.412 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -91.09 14.19 14.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.836 0.35 . . . . 64.2 110.849 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.1 34.12 4.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 73.21 110.815 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -138.51 -75.05 0.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 72.02 110.897 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.1 m -152.08 139.15 19.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.244 -0.435 . . . . 72.44 111.141 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -97.12 108.66 21.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 75.52 110.863 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 14.7 t -107.89 113.47 43.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 73.1 111.129 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 17.5 m -118.72 152.85 35.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 71.02 110.853 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.3 p -149.91 142.37 24.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 75.45 110.835 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 t -68.58 134.22 49.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.082 -0.508 . . . . 73.12 110.895 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -141.39 -179.32 6.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 72.23 110.884 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -95.08 145.39 29.45 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.574 0.702 . . . . 63.22 110.958 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 168.18 22.31 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.683 2.255 . . . . 75.24 112.317 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -52.8 -30.37 32.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 75.21 110.853 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.68 -61.09 2.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.287 -0.415 . . . . 72.41 110.853 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -54.65 -38.0 66.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.081 -0.509 . . . . 71.31 110.816 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -63.5 -65.32 0.7 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.325 -0.398 . . . . 74.11 110.866 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 40.5 mm -54.53 -51.24 51.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 63.31 111.157 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.49 -51.83 51.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 71.32 111.098 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.58 -46.75 80.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 73.4 110.898 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.58 -49.99 69.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 74.32 110.886 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 49.6 mm -59.78 -58.31 7.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 74.24 111.118 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 46.1 mm -53.61 -36.14 27.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 70.44 111.123 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -65.34 -49.23 70.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 72.11 110.899 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.39 -37.64 86.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 63.32 110.918 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 75.54 111.054 179.871 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.854 0.359 . . . . 64.25 111.097 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 32.1 p -107.06 -174.16 2.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 73.21 110.897 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.4 m -109.79 82.1 2.23 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.562 0.696 . . . . 74.14 111.163 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 -168.84 0.29 Allowed 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 122.655 2.237 . . . . 75.41 112.343 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.4 tp -60.85 141.48 57.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 75.4 110.888 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.7 mt 66.65 56.84 0.71 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 75.2 110.95 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -147.19 165.94 28.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 64.13 110.851 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -77.11 119.8 21.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.186 -0.461 . . . . 64.55 110.848 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.8 p -133.29 5.6 3.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 71.42 110.881 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.01 -37.63 64.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 72.32 110.866 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -79.3 -20.48 47.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 71.5 110.865 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -154.35 106.66 2.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 75.23 110.861 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.4 mtp180 -84.74 -26.87 27.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 74.2 110.935 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -93.7 16.81 13.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 71.33 110.8 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 85.4 p -100.52 -19.09 16.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 72.04 110.863 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.7 m -51.59 154.94 1.72 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.087 -0.506 . . . . 75.02 110.879 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 10.5 m -69.63 153.42 43.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 74.33 110.913 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.53 170.2 15.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 71.55 110.905 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -116.48 -178.81 18.05 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.706 -0.759 . . . . 54.45 112.543 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.96 -34.63 76.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.776 0.322 . . . . 74.35 110.917 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -123.0 -36.4 2.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 75.43 110.86 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -145.61 138.09 25.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 75.1 110.88 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt -53.19 162.18 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 74.21 110.892 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -75.17 175.32 8.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 74.21 110.889 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.7 p -130.77 148.48 33.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 75.02 111.154 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.8 t -97.97 112.35 24.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 72.13 110.888 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -91.87 123.94 35.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 75.21 110.893 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 38.5 m -104.76 152.43 22.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 71.32 110.864 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -145.24 148.49 33.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 74.22 110.817 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -118.35 77.44 13.42 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.705 0.764 . . . . 71.32 110.926 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 76.42 1.11 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.709 2.272 . . . . 62.13 112.375 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 65.38 30.55 10.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 62.33 110.924 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -164.66 72.58 0.18 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 71.4 112.488 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -69.08 -61.39 1.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.885 0.374 . . . . 64.2 110.882 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -95.44 22.09 7.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.488 . . . . 73.21 110.808 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.7 mttp -117.22 -53.16 2.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 72.02 110.879 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -159.81 103.71 1.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 72.44 111.16 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -88.39 125.51 34.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 75.52 110.852 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 15.1 t -101.97 114.25 40.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.151 -0.477 . . . . 73.1 111.124 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 24.1 m -119.36 152.57 36.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 71.02 110.872 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.7 p -150.01 149.61 30.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 75.45 110.888 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 t -68.78 126.18 28.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 73.12 110.967 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -136.61 169.78 17.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 72.23 110.941 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -88.11 134.47 34.89 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.611 0.719 . . . . 63.22 110.883 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 145.07 55.87 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.647 2.231 . . . . 75.24 112.359 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -59.36 -19.66 48.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 75.21 110.85 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.29 -61.94 1.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 72.41 110.823 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.83 -36.41 83.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.185 -0.462 . . . . 71.31 110.885 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -63.6 1.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 74.11 110.871 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 40.4 mm -58.24 -30.07 38.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 63.31 111.092 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.38 -60.97 2.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 71.32 111.097 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.51 -29.39 69.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 73.4 110.864 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.7 mptt -65.76 -51.63 57.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.175 -0.466 . . . . 74.32 110.902 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 50.5 mt -64.88 -52.17 57.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 74.24 111.185 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 40.6 mm -54.74 -45.56 73.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.106 -0.497 . . . . 70.44 111.144 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -62.96 -57.77 9.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 72.11 110.888 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.43 -27.18 46.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 63.32 110.895 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 75.54 111.074 179.839 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.805 0.336 . . . . 64.25 111.131 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m -93.9 156.11 16.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 73.21 110.861 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 93.3 m -114.73 79.55 5.83 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.607 0.718 . . . . 74.14 111.108 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -170.6 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.692 2.262 . . . . 75.41 112.359 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.7 tp -59.96 149.0 33.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 75.4 110.962 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.7 mt 65.78 55.13 1.0 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.235 -0.439 . . . . 75.2 110.935 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -145.63 165.93 27.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 64.13 110.889 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -80.0 114.24 18.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 64.55 110.923 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.0 p -120.64 8.34 10.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 71.42 110.909 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.8 t -59.65 -26.2 65.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 72.32 110.869 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 21.3 m-70 -79.89 -20.09 46.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 71.5 110.878 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -162.96 122.23 2.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 75.23 110.851 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.33 -13.56 58.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 74.2 110.921 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -116.17 28.21 8.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 71.33 110.921 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.7 p -92.42 -35.63 13.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 72.04 110.853 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 63.3 m -51.46 133.01 30.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 75.02 110.825 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 55.1 m -80.22 177.14 9.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 74.33 110.885 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.8 ttp180 -73.66 153.24 40.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 71.55 110.83 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -96.59 -161.77 32.45 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.773 -0.727 . . . . 54.45 112.456 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -80.02 -34.75 38.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.372 . . . . 74.35 110.89 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 46.9 mtt -118.31 -40.49 2.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 75.43 110.915 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -144.17 155.0 43.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 75.1 110.889 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.86 158.18 33.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 74.21 110.909 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -89.89 162.24 15.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 74.21 110.938 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.1 p -128.9 149.65 33.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.479 . . . . 75.02 111.124 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.6 t -88.38 122.15 31.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 72.13 110.889 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -119.69 138.11 53.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 75.21 110.898 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 33.5 m -118.23 134.22 55.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 71.32 110.952 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -145.26 -177.23 5.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 74.22 110.863 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.406 ' HB3' ' HD2' ' A' ' 33' ' ' PRO . 1.5 m-85 -110.59 157.16 39.12 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.674 0.75 . . . . 71.32 110.956 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.406 ' HD2' ' HB3' ' A' ' 32' ' ' TYR . 54.5 Cg_endo -69.72 -2.47 10.2 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.707 2.271 . . . . 62.13 112.396 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 75.69 31.53 0.73 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 62.33 110.9 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -178.48 -57.9 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.732 -0.747 . . . . 71.4 112.49 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -99.94 70.6 1.61 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.859 0.362 . . . . 64.2 110.869 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -76.52 60.14 1.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 73.21 110.855 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.2 mttt -100.3 -17.08 17.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 72.02 110.885 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -159.88 106.79 1.64 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 72.44 111.129 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -51.69 124.86 13.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 75.52 110.906 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 22.1 t -95.07 120.2 44.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.494 . . . . 73.1 111.157 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 62.6 m -102.87 132.59 48.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 71.02 110.86 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 p -139.02 155.74 47.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 75.45 110.877 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 t -73.75 116.32 14.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 73.12 110.852 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -118.56 177.77 4.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 72.23 110.845 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -87.89 156.8 52.3 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.615 0.721 . . . . 63.22 110.83 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 172.48 12.55 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.699 2.266 . . . . 75.24 112.351 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -58.67 -21.68 54.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 75.21 110.934 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 16.1 m -75.82 -53.54 8.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 72.41 110.823 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -64.05 -34.45 78.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 71.31 110.881 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.33 -58.59 3.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 74.11 110.905 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 27.1 mm -55.9 -47.02 80.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 63.31 111.13 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.28 -49.76 75.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 71.32 111.081 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -51.89 -51.07 59.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.428 . . . . 73.4 110.864 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.19 -55.42 35.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 74.32 110.899 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 31.5 mm -52.37 -53.58 18.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 74.24 111.095 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 37.8 mm -58.49 -49.87 80.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 70.44 111.116 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -53.56 -53.49 50.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 72.11 110.902 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -63.78 -32.37 73.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 63.32 110.886 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.424 . . . . 75.54 111.105 179.817 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.833 0.349 . . . . 70.14 111.105 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -118.01 -47.98 2.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 75.43 110.88 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.93 179.32 1.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 64.25 111.079 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 29.9 p -109.03 -174.13 2.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 73.21 110.917 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.9 m -109.81 82.23 2.28 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.594 0.711 . . . . 74.14 111.19 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -168.61 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.728 2.285 . . . . 75.41 112.332 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.5 tp -61.39 142.18 57.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 75.4 110.937 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.2 mt 66.34 56.18 0.8 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 75.2 110.962 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -146.49 166.97 24.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 64.13 110.843 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -77.87 113.36 15.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 64.55 110.823 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.1 p -125.84 8.5 7.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 71.42 110.901 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.4 t -56.83 -27.37 59.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 72.32 110.89 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -80.12 -20.4 45.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 71.5 110.87 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -162.77 119.01 1.87 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 75.23 110.891 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.0 mtm-85 -85.03 -20.66 30.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 74.2 110.881 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.3 m170 -103.95 19.41 20.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 71.33 110.861 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.9 m -100.11 -21.18 15.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 72.04 110.852 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.7 m -51.35 157.6 0.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 75.02 110.917 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.9 m -66.14 155.64 36.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 74.33 110.854 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.6 ttt85 -80.14 161.66 25.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 71.55 110.835 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -114.05 -177.64 19.18 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.754 -0.736 . . . . 54.45 112.494 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.31 -34.58 65.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.811 0.339 . . . . 74.35 110.888 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 5.1 mtt -107.94 -46.16 3.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 75.43 110.868 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -146.89 175.69 10.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 75.1 110.908 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.0 145.96 29.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 74.21 110.878 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -57.32 166.56 1.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 74.21 110.94 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -117.67 136.52 54.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 75.02 111.113 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.4 t -92.09 114.13 26.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 72.13 110.908 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -92.46 149.59 21.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 75.21 110.868 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 35.4 m -131.75 151.4 51.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 71.32 110.902 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -145.06 148.1 33.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 74.22 110.94 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -121.8 77.37 39.01 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.665 0.745 . . . . 71.32 110.955 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 76.81 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.725 2.284 . . . . 62.13 112.344 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 65.71 30.52 10.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 62.33 110.878 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -164.68 70.2 0.2 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.764 -0.731 . . . . 71.4 112.504 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -79.13 -40.9 29.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 64.2 110.849 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -100.08 14.23 31.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 73.21 110.882 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.53 -61.02 1.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 72.02 110.911 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -160.31 107.19 1.57 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 72.44 111.12 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.55 129.6 34.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.453 . . . . 75.52 110.899 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.9 t -96.44 115.33 35.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 73.1 111.14 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 39.1 m -118.76 153.24 34.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 71.02 110.902 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.8 p -150.09 152.23 34.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 75.45 110.851 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 2.2 t -72.11 129.95 39.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 73.12 110.885 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -140.83 167.02 23.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 72.23 110.972 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -95.2 145.76 30.1 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.563 0.697 . . . . 63.22 110.909 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 169.82 18.03 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.661 2.241 . . . . 75.24 112.363 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.64 -33.35 71.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 75.21 110.889 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.7 m -64.61 -53.67 44.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.437 . . . . 72.41 110.855 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.92 -46.42 89.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 71.31 110.894 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -61.7 2.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.445 . . . . 74.11 110.929 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 35.8 mt -51.27 -46.81 33.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 63.31 111.155 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.41 -59.13 4.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 71.32 111.121 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.1 -48.43 64.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 73.4 110.877 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.9 mmtt -51.07 -55.1 19.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 74.32 110.922 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 42.4 mm -57.52 -51.18 73.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 74.24 111.123 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 43.9 mt -52.66 -56.88 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 70.44 111.134 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -56.52 -44.86 81.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 72.11 110.898 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.5 ttmt -56.45 -58.66 7.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 63.32 110.881 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.23 -48.74 70.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 75.54 111.082 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.9 tptt -52.28 -47.45 65.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 74.1 110.906 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 13.3 m -74.93 -18.25 60.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 74.35 111.189 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.3 m -84.93 -23.97 28.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 72.3 111.142 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 15.9 mt . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 75.53 110.91 179.947 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.126 0 CA-C-O 120.925 0.393 . . . . 70.14 111.086 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.27 110.93 23.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 75.43 110.899 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -158.35 166.95 31.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 64.25 111.119 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m -101.61 161.27 13.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.295 -0.411 . . . . 73.21 110.932 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 97.8 m -116.3 80.77 10.05 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.58 0.705 . . . . 74.14 111.178 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -168.84 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.638 2.225 . . . . 75.41 112.375 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 20.2 tp -60.54 150.41 31.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 75.4 110.9 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 26.1 mt 59.91 58.44 2.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 75.2 110.989 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -145.49 168.16 21.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 64.13 110.838 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.56 116.47 18.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 64.55 110.914 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.8 p -129.37 4.82 5.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 71.42 110.84 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 t -60.12 -24.4 64.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 72.32 110.86 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -79.7 -18.09 52.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 71.5 110.877 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -167.6 115.31 0.76 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 75.23 110.824 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.5 mtm180 -70.82 -13.06 61.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 74.2 110.86 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -110.43 25.24 11.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 71.33 110.875 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.7 m -86.27 -38.35 17.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 72.04 110.824 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 98.7 m -54.9 132.61 46.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 75.02 110.84 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 85.0 m -79.56 164.63 23.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 74.33 110.841 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 49.0 ttt85 -79.9 156.69 27.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 71.55 110.87 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -104.69 -159.98 23.84 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.717 -0.754 . . . . 54.45 112.502 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -77.49 -33.24 54.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.768 0.318 . . . . 74.35 110.851 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 17.2 mtt -100.18 -67.98 0.83 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 75.43 110.851 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -133.62 172.15 13.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 75.1 110.874 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -84.29 145.96 28.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 74.21 110.907 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -74.02 166.14 23.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 74.21 110.888 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.0 p -122.65 149.31 26.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 75.02 111.126 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 50.4 t -94.28 114.43 26.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 72.13 110.874 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -92.61 149.19 21.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 75.21 110.856 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 63.4 m -133.07 139.68 47.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 71.32 110.89 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -145.39 172.76 12.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 74.22 110.885 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -143.65 152.8 57.19 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.69 0.757 . . . . 71.32 110.952 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 73.95 1.3 Allowed 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.722 2.282 . . . . 62.13 112.34 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 55.47 25.55 7.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 62.33 110.916 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 174.7 120.88 0.61 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.752 -0.737 . . . . 71.4 112.503 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.7 pt-20 -74.23 -8.57 56.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.844 0.354 . . . . 64.2 110.959 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.01 10.63 23.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 73.21 110.819 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -110.18 -75.08 0.63 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.256 -0.429 . . . . 72.02 110.848 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.3 m -150.79 139.0 20.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 72.44 111.126 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.45 113.16 25.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 75.52 110.88 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.6 t -113.48 115.97 51.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 73.1 111.086 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 57.9 m -114.49 152.74 31.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 71.02 110.852 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 p -150.46 151.15 32.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 75.45 110.856 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 t -67.99 127.89 34.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 73.12 110.856 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -140.47 170.93 14.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 72.23 110.935 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -95.26 146.51 31.45 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.59 0.709 . . . . 63.22 110.95 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 168.85 20.31 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.71 2.273 . . . . 75.24 112.35 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.06 -29.13 60.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 75.21 110.977 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.2 p -68.27 -55.44 12.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 72.41 110.907 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.78 -41.34 86.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 71.31 110.867 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -63.05 1.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 74.11 110.891 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 50.5 mt -54.23 -50.57 55.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 63.31 111.114 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.43 -54.08 36.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 71.32 111.116 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -55.82 -42.12 75.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 73.4 110.858 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -58.52 -51.9 67.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 74.32 110.887 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 49.3 mm -58.27 -58.14 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 74.24 111.102 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 50.5 mm -52.62 -40.74 35.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 70.44 111.155 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -60.38 -63.51 1.28 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 72.11 110.912 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.87 -25.66 61.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 63.32 110.894 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.1 -63.31 1.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 75.54 111.098 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -25.58 68.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 74.1 110.913 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 95.6 m -74.97 -24.96 58.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 74.35 111.141 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 87.3 m -93.78 -48.26 6.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 72.3 111.19 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.1 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 75.53 110.964 179.957 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.825 0.345 . . . . 70.14 111.111 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.29 -48.98 8.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 75.43 110.921 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.44 156.3 32.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 64.25 111.038 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.4 m -144.8 160.23 41.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 73.21 110.926 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 98.2 m -118.74 81.21 18.36 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.568 0.699 . . . . 74.14 111.103 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -172.88 0.62 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.659 2.24 . . . . 75.41 112.347 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.0 tp -59.04 146.34 38.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 75.4 110.97 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.0 mt 65.9 57.61 0.8 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.239 -0.437 . . . . 75.2 110.888 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -146.68 170.69 16.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 64.13 110.866 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.79 123.16 27.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.26 -0.427 . . . . 64.55 110.9 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 22.0 p -132.17 5.44 4.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 71.42 110.903 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.58 -25.37 66.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.155 -0.475 . . . . 72.32 110.839 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 -79.72 -18.51 51.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.482 . . . . 71.5 110.887 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -167.33 123.39 1.12 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 75.23 110.881 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 48.7 mtm180 -78.2 -17.73 56.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 74.2 110.854 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 -109.68 35.39 3.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 71.33 110.856 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -97.47 -35.94 10.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 72.04 110.891 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 68.4 m -53.68 131.79 39.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.064 -0.516 . . . . 75.02 110.79 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 65.6 m -80.65 167.57 19.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 74.33 110.938 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -80.1 152.56 29.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.291 -0.413 . . . . 71.55 110.82 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -105.8 -176.31 23.86 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.784 -0.722 . . . . 54.45 112.479 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.83 -24.79 41.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.795 0.331 . . . . 74.35 110.928 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.3 mtt -108.99 -52.42 2.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 75.43 110.809 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -146.64 158.21 43.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 75.1 110.821 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.66 145.62 28.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 74.21 110.891 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -90.01 147.11 23.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 74.21 110.929 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -118.76 176.66 3.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 75.02 111.154 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 12.3 t -100.3 116.08 31.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 72.13 110.857 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -103.08 113.82 27.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 75.21 110.858 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 94.3 m -100.77 137.76 38.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 71.32 110.92 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -145.25 178.98 7.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.466 . . . . 74.22 110.846 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -143.46 153.97 59.56 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.76 0.791 . . . . 71.32 110.902 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 74.05 1.32 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.686 2.257 . . . . 62.13 112.327 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 54.75 26.63 7.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 62.33 110.843 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 177.07 124.24 0.83 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.709 -0.758 . . . . 71.4 112.476 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -75.07 -10.42 59.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.844 0.354 . . . . 64.2 110.873 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.0 27.71 3.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 73.21 110.876 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.3 mttm -124.01 -74.8 0.6 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 72.02 110.872 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 89.7 m -154.12 140.24 18.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.254 -0.43 . . . . 72.44 111.213 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -96.46 116.12 28.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.273 -0.421 . . . . 75.52 110.942 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 18.2 t -114.58 117.73 56.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 73.1 111.157 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.1 m -117.43 139.64 50.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 71.02 110.84 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.0 p -145.59 155.53 43.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.129 -0.487 . . . . 75.45 110.801 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 2.3 t -68.01 116.26 8.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.498 . . . . 73.12 110.891 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -143.62 173.78 11.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 72.23 110.895 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -87.0 143.04 34.41 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.586 0.707 . . . . 63.22 110.89 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 148.7 65.78 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.625 2.217 . . . . 75.24 112.343 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.15 -28.94 56.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 75.21 110.892 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.74 -51.73 52.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 72.41 110.801 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 49.9 m170 -64.02 -41.6 97.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 71.31 110.843 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.8 mmtp -59.83 -58.51 8.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 74.11 110.918 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 38.8 mt -55.49 -48.5 77.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 63.31 111.166 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.72 -57.88 8.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 71.32 111.054 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.01 -44.03 70.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 73.4 110.917 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.3 mmmt -54.29 -53.36 54.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 74.32 110.914 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 49.4 mm -58.25 -56.81 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 74.24 111.13 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 49.8 mm -51.58 -55.33 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 70.44 111.076 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -51.99 -45.39 64.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 72.11 110.859 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.2 ttmm -65.41 -33.72 76.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 63.32 110.898 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.55 -48.33 72.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 75.54 111.132 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -72.0 -30.45 65.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 74.1 110.912 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 96.0 m -74.98 -25.25 58.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 74.35 111.159 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 96.1 m -85.49 -39.23 17.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 72.3 111.172 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.3 mt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 75.53 110.913 179.972 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.853 0.358 . . . . 70.14 111.116 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.44 108.5 16.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 75.43 110.897 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -72.6 127.33 32.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 64.25 111.095 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.48 -175.47 3.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 73.21 110.868 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 92.2 m -138.86 87.55 14.4 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.577 0.703 . . . . 74.14 111.146 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.83 -171.97 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.63 2.22 . . . . 75.41 112.353 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.3 tp -64.89 141.33 58.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.268 -0.423 . . . . 75.4 110.91 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.2 mt 66.25 53.31 1.04 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 75.2 110.903 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -143.59 167.29 22.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 64.13 110.949 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -71.01 119.76 15.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.223 -0.444 . . . . 64.55 110.862 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.0 p -128.79 2.13 5.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.431 . . . . 71.42 110.871 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.2 t -58.1 -27.87 64.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 72.32 110.915 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -79.93 -20.36 45.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 71.5 110.886 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -161.54 115.99 1.98 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 75.23 110.89 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 50.7 mtm180 -84.98 -9.61 57.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 74.2 110.906 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -118.4 24.58 10.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 71.33 110.871 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -100.0 -26.83 13.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 72.04 110.878 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 48.6 m -51.89 131.96 31.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.49 . . . . 75.02 110.933 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -52.93 171.99 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 74.33 110.895 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.1 ttp180 -80.75 166.02 21.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 71.55 110.94 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -111.87 161.67 12.67 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.724 -0.751 . . . . 54.45 112.471 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.36 -35.31 37.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 74.35 110.892 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.7 mtt -117.14 -45.15 2.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 75.43 110.863 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -146.03 142.77 28.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 75.1 110.889 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.38 156.67 1.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 74.21 110.882 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -77.86 163.31 26.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 74.21 110.94 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.0 p -115.56 149.03 17.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.07 -0.514 . . . . 75.02 111.174 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 51.6 t -97.49 112.4 24.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 72.13 110.892 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -93.88 122.69 36.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 75.21 110.807 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.6 m -107.09 150.23 26.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 71.32 110.971 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -141.72 153.58 44.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 74.22 110.887 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -125.31 77.62 68.01 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.644 0.735 . . . . 71.32 110.937 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 75.9 1.15 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.729 2.286 . . . . 62.13 112.356 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 65.04 30.67 11.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.302 -0.408 . . . . 62.33 110.841 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -167.29 76.82 0.12 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.778 -0.725 . . . . 71.4 112.503 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -96.41 21.21 9.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.829 0.347 . . . . 64.2 110.914 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -110.16 -57.23 2.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.111 -0.495 . . . . 73.21 110.84 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.66 22.3 2.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 72.02 110.933 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -138.98 55.37 1.71 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 72.44 111.152 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -90.59 121.5 32.57 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.277 -0.419 . . . . 75.52 110.854 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 14.3 t -104.99 113.28 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 73.1 111.128 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 18.8 m -119.08 153.39 34.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 71.02 110.867 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.4 p -148.89 151.0 33.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 75.45 110.865 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 t -73.69 128.82 36.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 73.12 110.931 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -140.67 175.07 9.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 72.23 110.943 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -95.71 146.76 31.88 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.609 0.719 . . . . 63.22 110.889 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 171.0 15.25 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.661 2.241 . . . . 75.24 112.29 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.62 -28.23 65.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 75.21 110.861 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.0 m -68.84 -55.4 11.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 72.41 110.926 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -60.62 -39.05 86.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 71.31 110.895 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.1 mmtp -64.86 -64.31 0.9 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.156 -0.474 . . . . 74.11 110.882 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 54.5 mt -53.36 -42.74 49.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 63.31 111.142 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.18 -58.84 6.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 71.32 111.089 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -54.2 -37.42 64.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 73.4 110.897 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -62.17 -54.98 33.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 74.32 110.933 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 50.9 mt -55.87 -51.66 57.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 74.24 111.137 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 47.3 mm -57.38 -56.12 16.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.457 . . . . 70.44 111.145 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -51.95 -48.96 64.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.175 -0.466 . . . . 72.11 110.815 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -60.72 -35.93 77.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.192 -0.458 . . . . 63.32 110.813 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.37 -50.66 66.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 75.54 111.104 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.4 mtpp -61.82 -47.61 84.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 74.1 110.919 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.5 m 64.12 16.03 9.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 74.35 111.12 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 26.4 m -86.71 -24.88 25.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 72.3 111.159 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.3 mt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 75.53 110.901 179.944 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.864 0.364 . . . . 70.14 111.095 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.1 tttt 53.58 38.19 27.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 75.43 110.887 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -88.12 31.15 0.81 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 64.25 111.035 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.2 m -127.83 161.12 29.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.423 . . . . 73.21 110.855 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 94.4 m -113.14 78.87 3.36 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.643 0.735 . . . . 74.14 111.138 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -169.04 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.746 2.297 . . . . 75.41 112.335 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 20.0 tp -58.22 150.43 21.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 75.4 110.953 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 27.9 mt 59.73 61.03 2.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.215 -0.448 . . . . 75.2 110.898 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -144.86 168.08 21.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 64.13 110.888 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -77.59 119.22 20.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 64.55 110.932 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.9 p -130.14 3.27 4.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.419 . . . . 71.42 110.884 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.78 -39.45 71.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 72.32 110.918 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -80.79 -14.99 57.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 71.5 110.899 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -158.0 112.99 2.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 75.23 110.877 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -84.35 -18.94 34.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 74.2 110.867 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -107.52 24.75 12.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 71.33 110.811 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.2 p -87.07 -37.16 17.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 72.04 110.844 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 97.4 m -52.22 131.68 32.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 75.02 110.872 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 62.7 m -80.04 158.18 26.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 74.33 110.838 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -59.35 171.4 0.79 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 71.55 110.831 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -113.06 -154.87 11.72 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.669 -0.777 . . . . 54.45 112.452 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -79.51 -34.49 41.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.836 0.35 . . . . 74.35 110.912 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -120.11 -47.71 2.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.489 . . . . 75.43 110.863 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -131.91 163.02 29.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 75.1 110.811 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -83.72 145.36 28.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 74.21 110.918 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -72.23 165.65 24.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 74.21 110.925 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.7 p -125.93 148.91 30.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 75.02 111.079 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.2 t -93.34 118.32 31.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 72.13 110.915 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -96.07 155.6 16.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 75.21 110.863 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 85.3 m -138.29 138.37 38.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 71.32 110.817 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -145.32 172.83 12.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 74.22 110.837 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -140.47 153.92 68.92 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.642 0.734 . . . . 71.32 110.915 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 74.0 1.33 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.7 2.267 . . . . 62.13 112.322 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 56.52 24.5 8.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 62.33 110.861 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 174.69 124.66 0.81 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.727 -0.749 . . . . 71.4 112.477 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.5 pm0 -76.56 -7.47 55.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.88 0.371 . . . . 64.2 110.886 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -90.86 12.31 19.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 73.21 110.912 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.6 mmtp -112.28 -73.5 0.67 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 72.02 110.854 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.4 m -153.94 141.94 20.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.285 -0.416 . . . . 72.44 111.166 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -100.05 116.51 32.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 75.52 110.899 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 17.1 t -114.01 117.05 54.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 73.1 111.14 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 61.5 m -115.98 149.44 38.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 71.02 110.871 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.2 p -150.32 152.06 33.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 75.45 110.872 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 t -67.59 128.17 35.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.088 -0.505 . . . . 73.12 110.88 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -140.97 169.28 17.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 72.23 110.948 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -95.2 146.79 31.94 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.647 0.736 . . . . 63.22 110.872 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 173.99 10.13 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.65 2.234 . . . . 75.24 112.388 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.2 -28.62 66.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 75.21 110.967 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.35 -58.88 3.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 72.41 110.845 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.57 -38.42 77.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 71.31 110.846 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.56 -62.93 1.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 74.11 110.851 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 49.8 mt -54.46 -48.15 69.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 63.31 111.114 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.12 -55.38 24.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 71.32 111.109 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -55.34 -43.52 75.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 73.4 110.917 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -55.83 -52.35 64.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 74.32 110.879 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 47.2 mm -58.77 -57.25 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 74.24 111.107 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 43.8 mm -52.1 -34.17 17.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 70.44 111.165 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -68.18 -59.94 2.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 72.11 110.899 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.5 mtmt -58.66 -25.29 62.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 63.32 110.919 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.0 -58.16 3.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 75.54 111.054 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.3 pttt -64.15 -27.6 69.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 74.1 110.974 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 95.6 m -75.53 -30.32 59.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 74.35 111.184 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 95.1 m -88.11 -27.28 22.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 72.3 111.095 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.0 mt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.277 -0.42 . . . . 75.53 110.915 179.939 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.878 0.37 . . . . 70.14 111.085 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.3 143.94 27.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 75.43 110.849 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.72 113.82 5.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 64.25 111.105 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.7 p -101.05 -174.49 2.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.421 . . . . 73.21 110.854 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 57.2 m -110.52 80.79 2.14 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.614 0.721 . . . . 74.14 111.15 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -168.84 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.69 2.26 . . . . 75.41 112.328 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.0 tp -65.08 136.43 56.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 75.4 110.89 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.1 mt 66.18 53.1 1.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 75.2 110.937 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -143.49 167.5 22.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 64.13 110.862 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -66.01 117.62 8.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 64.55 110.84 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.6 p -119.93 5.18 10.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 71.42 110.922 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.7 t -54.13 -45.7 72.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 72.32 110.825 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -96.06 15.82 19.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 71.5 110.883 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -154.53 101.4 2.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 75.23 110.884 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 -85.22 -68.04 0.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 74.2 110.841 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -94.58 26.86 3.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 71.33 110.909 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.25 -16.19 17.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 72.04 110.864 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.2 m -50.54 142.45 10.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 75.02 110.88 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -66.23 174.36 2.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 74.33 110.87 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.34 168.04 20.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 71.55 110.842 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -113.3 -150.62 10.68 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.72 -0.752 . . . . 54.45 112.495 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.62 -34.72 40.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.843 0.354 . . . . 74.35 110.894 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 5.1 mmt -127.25 -40.86 1.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 75.43 110.893 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -132.53 176.75 8.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 75.1 110.864 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -82.08 145.73 30.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 74.21 110.916 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -72.66 158.17 36.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.294 -0.412 . . . . 74.21 110.909 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.7 p -115.87 147.99 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 75.02 111.164 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 33.5 t -89.74 128.06 36.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 72.13 110.903 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -116.18 128.09 55.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 75.21 110.922 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 62.8 m -109.36 143.81 38.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 71.32 110.852 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -145.13 152.57 40.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 74.22 110.924 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -131.0 154.73 82.11 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.636 0.732 . . . . 71.32 110.951 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 74.54 1.29 Allowed 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.646 2.231 . . . . 62.13 112.342 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 57.05 23.9 8.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 62.33 110.898 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 165.02 149.19 5.74 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.699 -0.762 . . . . 71.4 112.471 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.5 pm0 -95.87 28.58 3.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.867 0.365 . . . . 64.2 110.943 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -110.16 15.99 22.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.119 -0.491 . . . . 73.21 110.876 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -128.2 -75.11 0.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 72.02 110.935 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.4 m -155.1 138.25 15.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 72.44 111.144 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.85 114.16 27.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 75.52 110.913 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 20.7 t -106.0 118.97 54.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 73.1 111.12 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.7 m -121.05 148.58 43.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 71.02 110.874 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.8 p -149.98 151.4 33.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 75.45 110.9 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 t -74.61 128.06 34.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 73.12 110.861 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -136.99 -176.82 4.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 72.23 110.891 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -95.13 145.18 29.07 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.589 0.709 . . . . 63.22 110.954 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 170.7 15.93 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.702 2.268 . . . . 75.24 112.373 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.35 -30.02 62.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 75.21 110.977 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.95 -56.85 8.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 72.41 110.854 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -57.89 -42.95 85.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 71.31 110.957 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.3 mttt -60.06 -61.16 2.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 74.11 110.934 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 42.5 mt -56.08 -45.81 80.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 63.31 111.149 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.58 -55.26 34.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.1 -0.5 . . . . 71.32 111.099 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -55.83 -44.0 77.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 73.4 110.919 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.1 mmtt -57.28 -46.55 83.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 74.32 110.835 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 37.3 mt -62.42 -55.39 24.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 74.24 111.055 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 43.7 mm -53.11 -41.79 43.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 70.44 111.154 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -62.31 -56.75 15.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 72.11 110.808 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.63 -25.54 66.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 63.32 110.971 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.15 -51.14 22.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 75.54 111.06 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -72.46 -25.73 61.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.279 -0.419 . . . . 74.1 110.91 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 90.6 m -76.31 -27.3 56.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 74.35 111.165 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 89.1 m -98.38 -25.33 14.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 72.3 111.138 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.3 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 75.53 110.949 179.982 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.828 0.347 . . . . 70.14 111.09 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 15.8 mtpt -97.99 -33.01 11.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.261 -0.427 . . . . 75.43 110.866 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.5 136.71 40.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 64.25 111.051 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 29.6 p -100.02 -174.16 2.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 73.21 110.818 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.1 m -109.6 82.98 2.42 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.569 0.7 . . . . 74.14 111.113 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -69.87 -172.06 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.647 2.231 . . . . 75.41 112.262 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.3 tp -65.37 143.24 57.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 75.4 110.888 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.5 mt 65.41 51.26 1.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 75.2 110.897 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -145.49 165.58 28.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 64.13 110.814 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -66.25 111.69 3.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 64.55 110.885 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.2 p -113.93 6.52 16.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 71.42 110.916 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.42 -48.47 56.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.098 -0.501 . . . . 72.32 110.904 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -94.28 18.35 11.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.076 -0.511 . . . . 71.5 110.869 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -150.3 98.22 2.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 75.23 110.846 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.5 mtm-85 -76.25 -74.51 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 74.2 110.925 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -100.95 28.4 5.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 71.33 110.83 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -96.18 -10.84 27.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 72.04 110.869 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.3 m -51.3 156.67 1.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 75.02 110.869 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.9 m -67.32 153.95 42.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 74.33 110.862 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -79.92 152.46 29.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 71.55 110.919 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -100.22 -171.33 29.67 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.759 -0.734 . . . . 54.45 112.513 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -77.08 -26.68 53.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.807 0.337 . . . . 74.35 110.868 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.8 mmt -118.48 -49.64 2.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.429 . . . . 75.43 110.924 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -146.33 142.27 28.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 75.1 110.865 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.94 164.33 0.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.49 . . . . 74.21 110.949 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -89.18 162.18 16.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 74.21 110.998 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.7 p -114.99 148.77 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 75.02 111.14 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 29.5 t -93.62 123.63 37.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 72.13 110.881 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -108.22 127.84 54.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.221 -0.445 . . . . 75.21 110.94 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 51.9 m -109.73 141.91 41.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 71.32 110.887 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -145.5 172.72 12.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 74.22 110.864 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -144.13 153.96 57.22 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.705 0.764 . . . . 71.32 110.916 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 74.33 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.746 2.297 . . . . 62.13 112.311 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 56.69 24.44 8.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 62.33 110.921 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 174.52 127.71 1.03 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.72 -0.753 . . . . 71.4 112.472 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -77.46 -5.74 51.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.833 0.349 . . . . 64.2 110.849 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.92 24.22 5.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 73.21 110.901 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.0 mttm -123.54 -74.76 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 72.02 110.881 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.5 m -151.55 132.61 14.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.247 -0.433 . . . . 72.44 111.155 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -91.87 111.06 22.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 75.52 110.92 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.1 t -112.82 115.07 48.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 73.1 111.067 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 16.6 m -116.14 152.14 34.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 71.02 110.919 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.3 p -150.07 146.08 26.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 75.45 110.942 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 t -70.83 131.18 43.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 73.12 110.839 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -143.34 177.83 8.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 72.23 110.869 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -95.3 146.51 31.44 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.601 0.715 . . . . 63.22 110.858 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 166.73 26.61 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.664 2.243 . . . . 75.24 112.369 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.5 -28.3 44.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 75.21 110.877 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.5 m -69.08 -57.26 5.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 72.41 110.844 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.14 -37.71 75.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 71.31 110.814 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt -65.36 -61.4 2.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 74.11 110.845 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 38.0 mt -55.73 -51.02 63.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 63.31 111.142 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.28 -50.96 66.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 71.32 111.068 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -57.86 -40.62 80.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.977 0.417 . . . . 73.4 110.91 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.74 -45.78 92.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.077 -0.51 . . . . 74.32 110.948 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 57.3 mt -61.95 -55.45 24.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 74.24 111.195 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 50.4 mm -55.54 -43.61 73.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 70.44 111.111 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.37 -47.87 80.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 72.11 110.934 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.55 -43.4 97.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 63.32 110.93 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.2 -58.77 4.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 75.54 111.117 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.2 -52.51 61.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 74.1 110.947 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.3 m 62.69 17.1 9.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 74.35 111.188 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 87.0 m -96.78 -33.95 11.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 72.3 111.162 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.3 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 75.53 110.912 179.927 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.812 0.339 . . . . 70.14 111.153 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.27 139.95 23.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 75.43 110.925 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.41 131.86 42.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 64.25 111.127 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m -98.22 163.09 12.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 73.21 110.889 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 98.6 m -120.36 82.09 31.23 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.525 0.679 . . . . 74.14 111.137 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.83 -170.56 0.4 Allowed 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.625 2.217 . . . . 75.41 112.367 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.9 tp -61.2 147.34 44.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 75.4 110.875 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.8 mt 64.8 56.26 1.14 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 75.2 110.919 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -145.25 167.69 22.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 64.13 110.859 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -76.27 120.59 21.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 64.55 110.847 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.2 p -130.27 3.45 4.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 71.42 110.901 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.4 t -60.79 -24.49 65.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 72.32 110.816 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -79.73 -19.58 48.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.074 -0.512 . . . . 71.5 110.814 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -166.06 124.49 1.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 75.23 110.852 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.7 mtt180 -78.88 -16.33 57.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 74.2 110.853 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -108.79 27.84 9.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.487 . . . . 71.33 110.851 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.7 m -89.21 -40.06 13.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 72.04 110.864 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 83.5 m -52.52 131.63 34.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 75.02 110.909 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 50.5 m -80.5 170.05 16.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 74.33 110.867 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -80.2 157.16 26.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 71.55 110.883 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -116.4 148.46 18.88 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.742 -0.742 . . . . 54.45 112.531 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -51.74 -29.88 20.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.755 0.312 . . . . 74.35 110.855 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 17.1 mtm -100.62 -57.0 2.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 75.43 110.94 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -145.71 156.19 43.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 75.1 110.88 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.3 ttpt -84.75 143.51 29.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 74.21 110.879 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -90.54 148.27 22.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 74.21 110.923 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -120.2 176.4 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 75.02 111.163 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.9 t -100.72 115.43 30.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 72.13 110.919 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.65 117.84 35.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 75.21 110.86 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 64.3 m -99.84 154.04 18.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 71.32 110.893 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -143.13 143.31 31.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 74.22 110.898 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -115.13 77.52 5.23 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.671 0.748 . . . . 71.32 110.945 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 76.59 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.689 2.259 . . . . 62.13 112.364 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 65.62 30.49 10.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 62.33 110.897 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -164.75 72.51 0.18 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.726 -0.75 . . . . 71.4 112.496 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -65.72 -62.34 1.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.881 0.372 . . . . 64.2 110.898 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.93 27.57 4.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.498 . . . . 73.21 110.823 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -122.66 -52.47 1.91 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.266 -0.425 . . . . 72.02 110.935 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -159.39 105.57 1.69 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 72.44 111.133 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -100.1 136.31 40.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 75.52 110.826 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.4 t -109.65 118.9 57.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 73.1 111.113 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 34.3 m -119.28 137.02 53.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 71.02 110.86 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.7 p -141.95 158.56 43.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 75.45 110.868 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 2.0 t -69.87 114.91 8.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 73.12 110.853 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -145.11 -179.92 6.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 72.23 110.888 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -89.23 141.67 29.34 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.552 0.692 . . . . 63.22 110.89 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 151.48 68.82 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.671 2.247 . . . . 75.24 112.327 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.68 -25.17 38.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 75.21 110.914 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.59 -53.15 24.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 72.41 110.872 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -66.29 -32.87 74.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.493 . . . . 71.31 110.869 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.81 -47.07 64.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 74.11 110.888 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 16.6 mm -63.47 -46.74 94.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 63.31 111.124 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.5 -53.34 57.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 71.32 111.103 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.92 -44.94 74.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 73.4 110.887 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.3 mptt -58.95 -52.43 65.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 74.32 110.925 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 22.8 mt -55.12 -57.83 6.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 74.24 111.116 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 43.4 mm -52.5 -51.55 33.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 70.44 111.133 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -52.37 -49.74 63.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 72.11 110.889 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.1 tptm -65.13 -31.29 72.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 63.32 110.887 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.54 -51.43 62.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 75.54 111.154 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 32.0 mmtt -72.45 -30.96 65.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 74.1 110.902 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 93.8 m -75.03 -24.89 58.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 74.35 111.098 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 95.7 m -95.02 -28.42 15.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.238 -0.437 . . . . 72.3 111.107 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 70.6 mt . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 75.53 110.895 179.97 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.865 0.364 . . . . 70.14 111.103 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.65 9.03 33.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 75.43 110.919 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -88.04 29.48 0.93 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 64.25 111.093 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.9 p -129.4 -174.11 3.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 73.21 110.906 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 26.3 m -109.19 84.0 2.62 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.618 0.723 . . . . 74.14 111.152 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -169.85 0.36 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.737 2.291 . . . . 75.41 112.267 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 21.4 tp -65.7 146.28 54.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 75.4 110.929 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.5 mt 59.19 52.91 5.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 75.2 110.917 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -144.13 166.21 25.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 64.13 110.897 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -65.14 106.55 1.32 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.292 -0.413 . . . . 64.55 110.831 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.7 p -107.1 2.53 25.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 71.42 110.948 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.8 t -51.6 -46.31 63.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 72.32 110.883 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 41.7 m-70 -94.01 13.29 23.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 71.5 110.826 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -154.8 92.72 1.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 75.23 110.925 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 70.3 mtm180 -75.76 -74.94 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 74.2 110.831 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -93.87 25.38 3.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 71.33 110.81 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 m -100.34 -8.64 23.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 72.04 110.835 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.4 m -50.79 157.43 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 75.02 110.886 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 17.4 m -66.89 152.77 45.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 74.33 110.882 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.1 ttp85 -79.83 149.55 30.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 71.55 110.912 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -98.8 -172.27 31.69 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.803 -0.713 . . . . 54.45 112.448 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -75.52 -29.2 59.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.829 0.347 . . . . 74.35 110.815 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -112.8 -52.44 2.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 75.43 110.829 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -145.98 147.86 32.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 75.1 110.835 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.3 pttt -52.41 166.51 0.18 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.093 -0.503 . . . . 74.21 110.871 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -89.68 159.23 17.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 74.21 110.938 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -115.42 138.82 44.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 75.02 111.14 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.1 t -87.38 132.95 33.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 72.13 110.935 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -119.83 131.33 55.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 75.21 110.897 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 25.2 m -108.33 153.9 22.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 71.32 110.874 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -145.14 160.28 41.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 74.22 110.896 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -132.74 78.97 65.28 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.686 0.755 . . . . 71.32 110.942 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 77.67 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.707 2.271 . . . . 62.13 112.355 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 63.04 30.89 16.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.3 -0.409 . . . . 62.33 110.881 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -164.44 65.39 0.23 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.783 -0.722 . . . . 71.4 112.544 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.1 -42.07 48.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.891 0.377 . . . . 64.2 110.875 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -95.56 14.19 23.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 73.21 110.897 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.93 -63.88 1.39 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 72.02 110.875 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -160.41 102.62 1.39 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 72.44 111.173 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.73 136.68 40.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 75.52 110.813 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.3 t -103.69 115.85 46.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 73.1 111.137 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 18.9 m -117.3 148.81 41.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 71.02 110.88 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.5 p -150.02 147.57 27.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 75.45 110.842 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 t -70.67 132.9 46.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 73.12 110.957 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -140.19 173.7 11.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 72.23 110.896 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -94.98 144.89 28.56 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.686 0.755 . . . . 63.22 110.892 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.72 171.08 15.08 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.677 2.252 . . . . 75.24 112.413 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.09 -30.05 65.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.231 -0.441 . . . . 75.21 110.902 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.7 t -67.5 -55.87 11.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 72.41 110.795 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.24 -40.72 86.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 71.31 110.86 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.5 mtpt -61.96 -59.62 4.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 74.11 110.878 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 44.9 mt -57.22 -50.91 75.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 63.31 111.154 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.67 -51.22 63.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 71.32 111.09 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -57.4 -43.09 83.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 73.4 110.821 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.93 -52.79 64.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 74.32 110.896 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 50.0 mm -57.21 -48.32 82.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 74.24 111.05 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 38.1 mt -57.47 -46.62 85.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 70.44 111.169 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -60.86 -49.7 76.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 72.11 110.869 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.86 -29.97 71.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 63.32 110.916 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.48 -57.04 5.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 75.54 111.137 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.6 mtpt -66.91 -51.69 52.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 74.1 110.797 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.1 m 62.95 16.48 9.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.421 . . . . 74.35 111.176 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.8 m -96.4 -32.95 12.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.452 . . . . 72.3 111.126 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 22.8 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 75.53 110.893 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.798 0.332 . . . . 70.14 111.126 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt 52.7 36.61 21.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.414 . . . . 75.43 110.921 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -88.14 32.98 0.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 64.25 111.121 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 29.3 p -122.6 -174.08 2.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 73.21 110.917 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.5 m -109.69 83.08 2.53 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.715 0.769 . . . . 74.14 111.138 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -172.71 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.676 2.251 . . . . 75.41 112.355 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.1 tp -65.24 143.62 57.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 75.4 110.925 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.5 mt 66.05 51.01 1.36 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 75.2 110.933 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -145.3 165.17 29.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 64.13 110.844 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.43 109.35 3.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 64.55 110.866 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.0 p -110.27 9.56 23.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 71.42 110.928 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.57 -48.61 57.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 72.32 110.808 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -94.81 20.16 9.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 71.5 110.819 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -149.84 98.41 2.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 75.23 110.852 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 72.8 mtm180 -74.07 -74.12 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 74.2 110.93 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -104.02 24.45 11.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 71.33 110.88 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.7 m -89.71 -10.32 46.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 72.04 110.845 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.8 m -51.29 156.76 1.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.115 -0.493 . . . . 75.02 110.908 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.4 m -68.09 153.61 43.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 74.33 110.876 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.87 152.61 29.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 71.55 110.887 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -100.53 -173.83 29.65 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.715 -0.755 . . . . 54.45 112.561 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.13 -33.76 65.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.793 0.33 . . . . 74.35 110.877 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.6 mpt? -107.2 -52.41 2.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 75.43 110.879 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -143.58 165.98 26.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 75.1 110.819 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.13 159.53 33.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 74.21 110.843 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -86.05 166.17 16.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 74.21 110.906 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.6 p -117.23 148.66 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.068 -0.515 . . . . 75.02 111.085 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 31.0 t -96.29 116.29 28.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 72.13 110.878 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -95.75 154.47 17.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 75.21 110.842 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 72.1 m -139.98 138.2 35.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 71.32 110.877 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -145.5 177.06 9.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 74.22 110.93 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -143.87 153.61 57.66 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.675 0.75 . . . . 71.32 110.941 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 74.44 1.29 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.635 2.223 . . . . 62.13 112.328 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 56.89 24.22 9.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.279 -0.418 . . . . 62.33 110.779 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 173.22 127.34 0.97 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.716 -0.754 . . . . 71.4 112.402 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.05 -9.75 58.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.801 0.334 . . . . 64.2 110.856 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -86.33 4.95 36.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.128 -0.487 . . . . 73.21 110.864 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -104.15 -75.03 0.63 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 72.02 110.905 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 32.3 m -154.12 144.82 22.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 72.44 111.11 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -99.87 115.97 30.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 75.52 110.905 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.3 t -112.89 116.31 52.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 73.1 111.132 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 49.3 m -116.79 150.25 38.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 71.02 110.811 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.4 p -150.2 149.14 29.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 75.45 110.898 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 t -73.08 128.26 34.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 73.12 110.933 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -140.65 178.71 7.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.095 -0.502 . . . . 72.23 110.91 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 11.7 pm0 -95.54 146.96 32.25 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.592 0.71 . . . . 63.22 110.917 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 166.17 28.56 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.687 2.258 . . . . 75.24 112.3 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.04 -35.83 62.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 75.21 110.91 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.6 -52.2 64.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.288 -0.415 . . . . 72.41 110.939 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.3 -43.32 88.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 71.31 110.838 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt -58.44 -57.81 11.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 74.11 110.879 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 31.2 mt -53.1 -49.99 47.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.291 -0.413 . . . . 63.31 111.201 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.34 -53.48 44.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.084 -0.507 . . . . 71.32 111.022 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -55.44 -46.25 76.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 73.4 110.897 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.9 mtpp -56.95 -48.9 77.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 74.32 110.952 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 48.1 mt -58.03 -58.18 7.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 74.24 111.088 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 44.3 mm -51.66 -51.92 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 70.44 111.175 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -52.09 -49.93 62.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 72.11 110.9 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -58.19 -41.26 83.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 63.32 110.907 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.13 -49.09 79.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 75.54 111.115 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 30.5 mmtt -60.8 -45.82 92.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 74.1 110.887 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.2 m 64.47 15.96 9.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.288 -0.415 . . . . 74.35 111.143 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.7 m -89.85 -19.96 24.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 72.3 111.114 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 34.4 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 75.53 110.85 -179.963 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.861 0.362 . . . . 70.14 111.078 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -118.66 -36.69 3.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 75.43 110.91 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.42 122.31 17.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 64.25 111.049 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.37 -175.55 2.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 73.21 110.878 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 86.6 m -139.06 88.04 13.6 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.593 0.711 . . . . 74.14 111.097 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -172.61 0.59 Allowed 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.742 2.294 . . . . 75.41 112.331 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.3 tp -64.68 142.64 58.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 75.4 110.919 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.4 mt 66.09 53.16 1.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 75.2 110.927 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -143.66 167.49 22.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 64.13 110.892 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -74.21 120.79 20.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 64.55 110.849 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.9 p -132.81 6.23 3.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 71.42 110.84 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.6 t -58.09 -26.25 62.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 72.32 110.883 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -80.23 -20.06 45.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.088 -0.506 . . . . 71.5 110.846 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -164.29 120.85 1.61 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 75.23 110.818 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 66.2 mtp180 -85.09 -21.81 29.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 74.2 110.926 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -102.51 25.11 9.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 71.33 110.828 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 44.2 p -99.17 -30.97 11.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 72.04 110.893 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 54.3 m -52.11 133.21 33.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.13 -0.486 . . . . 75.02 110.873 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -52.71 171.89 0.05 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 74.33 110.849 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.72 167.92 19.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 71.55 110.82 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -113.86 164.43 12.06 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 54.45 112.481 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.82 -35.36 44.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.776 0.322 . . . . 74.35 110.852 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 7.1 mmt -118.54 -44.61 2.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.448 . . . . 75.43 110.919 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -144.56 142.35 30.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 75.1 110.869 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.72 157.75 0.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 74.21 110.944 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -75.73 163.98 26.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 74.21 110.97 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.9 p -116.0 148.94 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 75.02 111.141 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 47.5 t -99.95 112.58 24.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 72.13 110.912 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -91.39 152.77 20.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 75.21 110.833 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.8 m -135.03 151.17 50.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 71.32 110.904 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -145.14 155.46 43.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 74.22 110.9 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -126.71 77.82 73.62 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.705 0.764 . . . . 71.32 110.881 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 77.3 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.618 2.212 . . . . 62.13 112.303 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 65.75 30.22 10.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 62.33 110.947 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -169.32 76.28 0.11 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.769 -0.729 . . . . 71.4 112.495 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -92.77 -24.63 18.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.899 0.38 . . . . 64.2 110.862 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -108.59 26.19 10.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 73.21 110.878 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.1 ptpt -139.85 -49.62 0.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 72.02 110.926 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.6 m -161.91 115.8 1.87 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.296 -0.411 . . . . 72.44 111.121 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -96.21 131.92 42.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 75.52 110.818 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 13.0 t -95.83 112.21 27.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.117 -0.492 . . . . 73.1 111.096 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 44.2 m -117.45 150.5 38.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 71.02 110.911 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.9 p -148.89 154.24 39.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.193 -0.458 . . . . 75.45 110.848 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 t -73.75 129.59 38.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.081 -0.508 . . . . 73.12 110.868 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -143.52 173.43 11.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 72.23 110.908 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -95.28 147.15 32.56 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.622 0.725 . . . . 63.22 110.906 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 164.18 35.45 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.671 2.247 . . . . 75.24 112.32 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.63 -32.22 28.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 75.21 110.932 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.83 -58.32 5.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 72.41 110.848 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -57.13 -32.35 66.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.491 . . . . 71.31 110.813 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.05 -51.11 42.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 74.11 110.887 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 55.9 mt -60.62 -35.8 66.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 63.31 111.098 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.83 -55.26 13.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 71.32 111.111 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -59.89 -31.15 69.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 73.4 110.917 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -69.54 -58.83 3.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 74.32 110.919 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 46.7 mt -55.73 -45.59 79.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 74.24 111.206 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 39.4 mt -62.78 -48.58 87.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.073 -0.512 . . . . 70.44 111.137 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -57.37 -46.48 83.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.157 -0.474 . . . . 72.11 110.832 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.6 ttpp -61.84 -47.82 83.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 63.32 110.912 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.69 -60.96 2.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 75.54 111.085 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.02 -55.91 17.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 74.1 110.87 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.3 m 64.35 16.02 9.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 74.35 111.126 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.8 m -91.73 -24.8 19.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 72.3 111.075 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.6 mt . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.252 -0.431 . . . . 75.53 110.888 -179.973 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.851 0.358 . . . . 70.14 111.126 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -161.38 162.67 30.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 75.43 110.934 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -165.22 176.15 8.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 64.25 111.033 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 30.5 p -103.86 -174.12 2.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 73.21 110.901 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 27.1 m -109.73 82.35 2.27 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.524 0.678 . . . . 74.14 111.074 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 -167.39 0.23 Allowed 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.693 2.262 . . . . 75.41 112.339 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.7 tp -62.26 140.72 58.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 75.4 110.93 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.1 mt 65.99 54.94 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 75.2 110.845 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -146.77 166.1 27.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.28 -0.418 . . . . 64.13 110.846 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -73.87 121.22 20.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 64.55 110.821 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.0 p -133.01 6.57 3.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 71.42 110.886 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.1 t -57.75 -23.33 51.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 72.32 110.893 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -80.25 -20.28 44.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.499 . . . . 71.5 110.88 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -165.49 123.57 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 75.23 110.881 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -85.13 -15.53 43.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 74.2 110.855 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -110.01 20.01 18.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 71.33 110.864 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.3 p -100.08 -22.25 15.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 72.04 110.854 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 m -51.91 156.56 1.47 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 75.02 110.856 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 12.8 m -68.58 156.68 37.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 74.33 110.877 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -80.22 156.44 26.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 71.55 110.948 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -105.02 -173.8 24.41 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.816 -0.707 . . . . 54.45 112.496 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -76.37 -23.49 54.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.769 0.319 . . . . 74.35 110.914 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -126.05 -45.98 1.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 75.43 110.865 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -145.91 140.99 27.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 75.1 110.914 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -53.9 155.53 3.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 74.21 111.003 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -70.6 161.73 30.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.29 -0.414 . . . . 74.21 110.959 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.2 m -112.2 140.0 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 75.02 111.133 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 39.0 t -89.05 109.65 20.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 72.13 110.889 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -89.88 155.9 18.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.473 . . . . 75.21 110.805 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 68.8 m -136.81 138.56 40.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 71.32 110.897 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -145.41 -178.9 6.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 74.22 110.9 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -143.57 153.95 59.16 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.689 0.757 . . . . 71.32 110.898 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.69 74.47 1.26 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.687 2.258 . . . . 62.13 112.36 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 53.1 28.59 7.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 62.33 110.867 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 177.06 124.98 0.87 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.694 -0.765 . . . . 71.4 112.409 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.02 -15.91 61.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.824 0.345 . . . . 64.2 110.838 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -94.7 38.68 1.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 73.21 110.926 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -132.96 -74.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 72.02 110.868 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 30.2 m -157.0 135.95 11.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.452 . . . . 72.44 111.113 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -93.31 112.49 24.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 75.52 110.905 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.2 t -112.55 119.79 61.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 73.1 111.061 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 57.1 m -113.9 151.11 32.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 71.02 110.827 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.3 p -148.47 154.74 40.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.089 -0.505 . . . . 75.45 110.82 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 t -73.13 125.54 27.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.515 . . . . 73.12 110.853 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -140.75 172.08 13.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 72.23 110.979 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -95.57 147.41 32.97 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.572 0.701 . . . . 63.22 110.921 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 145.48 57.18 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.649 2.233 . . . . 75.24 112.382 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.01 -19.11 60.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 75.21 110.928 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.15 -55.83 10.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 72.41 110.865 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.77 -34.11 73.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 71.31 110.81 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.03 -54.9 26.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 74.11 110.844 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 66.1 mt -65.11 -44.01 95.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 63.31 111.064 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.03 -50.64 73.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 71.32 111.057 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -61.02 -47.35 86.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 73.4 110.905 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp -54.56 -52.18 62.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 74.32 110.842 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 29.4 mt -57.26 -53.53 42.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 74.24 111.139 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 47.9 mt -56.46 -41.96 73.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 70.44 111.099 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -59.01 -60.42 3.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 72.11 110.88 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -61.39 -25.48 67.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 63.32 110.91 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.87 -59.67 3.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 75.54 111.101 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.41 -27.65 65.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 74.1 110.852 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 96.3 m -75.64 -24.58 56.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.301 -0.409 . . . . 74.35 111.133 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 95.4 m -98.64 -26.22 14.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 72.3 111.163 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.1 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 75.53 110.889 -179.988 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.833 0.349 . . . . 70.14 111.072 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.5 tmtt? -127.86 138.91 52.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 75.43 110.855 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 63.56 37.12 10.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 64.25 111.099 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m -132.7 161.73 33.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 73.21 110.879 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 96.8 m -116.57 81.0 10.89 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.542 0.687 . . . . 74.14 111.181 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -168.43 0.28 Allowed 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.638 2.225 . . . . 75.41 112.355 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 19.8 tp -60.88 150.52 32.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 75.4 110.939 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 26.0 mt 59.94 58.3 2.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.142 -0.481 . . . . 75.2 110.906 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -145.6 167.75 22.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 64.13 110.855 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -77.35 118.7 20.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 64.55 110.843 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.9 p -132.14 6.53 4.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 71.42 110.856 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.5 t -61.0 -26.45 67.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.421 . . . . 72.32 110.891 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -79.84 -15.21 57.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 71.5 110.859 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -170.39 113.97 0.46 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.176 -0.465 . . . . 75.23 110.89 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.3 mtm180 -72.55 -14.52 61.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 74.2 110.832 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -107.37 24.45 12.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 71.33 110.832 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -87.22 -39.85 15.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 72.04 110.788 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 98.7 m -51.75 133.0 31.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 75.02 110.88 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 99.2 m -79.83 165.75 22.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 74.33 110.842 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -79.45 151.69 30.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 71.55 110.87 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -96.82 -159.32 31.59 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.756 -0.735 . . . . 54.45 112.53 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.57 -35.15 46.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.755 0.312 . . . . 74.35 110.867 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 43.7 mtt -99.91 -63.7 1.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 75.43 110.887 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -136.02 172.14 13.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 75.1 110.913 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -81.17 158.03 25.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.492 . . . . 74.21 110.93 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -88.47 164.28 15.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 74.21 110.899 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.1 p -119.15 149.79 21.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 75.02 111.151 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.5 t -95.18 113.06 24.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 72.13 110.867 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -90.34 153.5 20.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 75.21 110.871 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 93.7 m -138.96 138.56 37.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 71.32 110.871 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -145.34 175.7 10.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 74.22 110.906 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -143.89 153.6 57.6 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.666 0.746 . . . . 71.32 110.891 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 73.99 1.32 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.679 2.253 . . . . 62.13 112.352 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 56.63 24.35 8.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.48 . . . . 62.33 110.845 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 175.6 125.71 0.89 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.76 -0.733 . . . . 71.4 112.505 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -77.93 -7.04 56.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.867 0.365 . . . . 64.2 110.915 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -92.65 14.85 15.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 73.21 110.84 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -114.57 -74.62 0.61 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.256 -0.429 . . . . 72.02 110.865 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.5 m -151.35 140.57 21.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.212 -0.449 . . . . 72.44 111.11 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.58 114.32 27.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 75.52 110.859 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.6 t -112.08 116.55 52.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 73.1 111.19 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 59.7 m -116.67 150.61 37.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 71.02 110.909 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -150.28 153.54 36.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 75.45 110.917 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 t -69.32 128.23 35.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 73.12 110.93 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -139.99 171.74 13.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 72.23 110.945 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -95.56 147.24 32.69 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.6 0.714 . . . . 63.22 110.923 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 166.11 28.7 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.684 2.256 . . . . 75.24 112.357 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.47 -36.82 62.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 75.21 110.933 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.7 -51.2 68.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 72.41 110.853 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -59.35 -40.24 85.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.101 -0.499 . . . . 71.31 110.871 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.14 -48.5 79.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 74.11 110.936 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 32.3 mm -62.47 -59.4 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 63.31 111.199 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.58 -35.71 54.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 71.32 111.078 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -65.8 -51.78 56.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 73.4 110.863 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.8 ptmt -61.31 -30.96 70.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 74.32 110.893 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 34.2 mt -70.58 -60.26 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 74.24 111.142 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 42.0 mm -55.89 -42.44 70.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.264 -0.425 . . . . 70.44 111.141 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -64.52 -53.12 53.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 72.11 110.891 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -60.71 -28.2 68.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 63.32 110.938 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.41 -52.35 16.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 75.54 111.012 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.57 -24.81 64.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 74.1 110.905 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 95.3 m -78.0 -32.73 51.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 74.35 111.204 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 24.3 m -88.29 -36.47 16.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 72.3 111.18 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 37.9 mt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 75.53 110.897 179.916 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.84 0.352 . . . . 70.14 111.123 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -109.74 128.78 55.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 75.43 110.894 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -87.27 42.0 1.01 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 64.25 111.1 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 30.5 p -121.1 -174.26 2.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 73.21 110.876 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.4 m -109.56 82.84 2.34 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.543 0.687 . . . . 74.14 111.139 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -171.47 0.47 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.635 2.223 . . . . 75.41 112.378 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.3 tp -65.42 142.06 58.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 75.4 110.875 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.6 mt 66.2 50.93 1.31 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 75.2 110.932 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -144.52 165.34 28.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 64.13 110.879 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.34 115.73 6.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.426 . . . . 64.55 110.853 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.1 p -119.28 8.2 11.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 71.42 110.878 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.67 -46.68 58.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 72.32 110.804 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 35.5 m170 -96.58 20.32 10.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 71.5 110.817 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -149.57 101.39 3.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 75.23 110.889 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 73.8 mtm180 -77.22 -69.74 0.51 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 74.2 110.854 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -106.67 26.2 10.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 71.33 110.908 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.94 -11.84 37.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 72.04 110.789 -179.714 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.7 m -51.64 156.64 1.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 75.02 110.952 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 13.0 m -68.32 151.37 47.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 74.33 110.818 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -80.27 152.02 29.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 71.55 110.901 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -99.88 -171.64 30.14 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.83 -0.7 . . . . 54.45 112.505 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -73.71 -35.13 65.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.737 0.303 . . . . 74.35 110.817 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -104.04 -51.44 3.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 75.43 110.935 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -145.83 172.47 13.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.463 . . . . 75.1 110.899 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.28 159.18 30.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 74.21 110.874 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -84.81 167.44 16.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 74.21 110.926 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.1 p -117.0 149.58 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 75.02 111.15 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 29.4 t -97.87 120.54 38.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 72.13 110.877 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.62 156.03 17.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 75.21 110.841 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 55.7 m -136.19 135.79 39.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 71.32 110.92 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -145.6 -175.85 4.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 74.22 110.899 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -144.19 153.08 55.89 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.643 0.735 . . . . 71.32 110.925 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 74.97 1.24 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.672 2.248 . . . . 62.13 112.31 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 59.25 23.52 11.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.423 . . . . 62.33 110.887 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 169.78 131.82 1.37 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.755 -0.736 . . . . 71.4 112.547 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -95.1 28.22 2.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.868 0.366 . . . . 64.2 110.888 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -110.32 25.4 11.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 73.21 110.841 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.55 -62.1 0.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 72.02 110.907 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.1 m -161.63 148.87 14.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 72.44 111.132 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -100.39 121.72 41.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.217 -0.447 . . . . 75.52 110.935 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 14.2 t -105.57 113.87 43.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 73.1 111.109 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 48.5 m -110.62 150.35 29.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 71.02 110.845 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.4 p -150.18 150.3 31.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 75.45 110.879 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 t -72.47 129.98 39.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 73.12 110.93 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -140.9 174.63 10.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 72.23 110.931 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -94.66 146.3 31.19 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.58 0.705 . . . . 63.22 110.944 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.85 168.09 22.66 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.671 2.247 . . . . 75.24 112.298 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.99 -41.0 82.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 75.21 110.902 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 51.4 p -63.5 -37.6 87.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 72.41 110.851 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -65.79 -56.58 11.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 71.31 110.892 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -57.93 -45.04 87.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 74.11 110.829 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 25.7 mm -64.56 -50.64 74.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 63.31 111.131 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.63 -51.09 61.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 71.32 111.09 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.99 -44.96 95.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 73.4 110.858 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.03 -50.12 67.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 74.32 110.88 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 43.0 mm -62.88 -54.28 35.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 74.24 111.117 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 30.9 mt -51.94 -41.33 30.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.451 . . . . 70.44 111.15 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -67.64 -43.75 79.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.186 -0.461 . . . . 72.11 110.896 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.83 -32.54 74.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 63.32 110.882 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.6 -59.37 2.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.293 -0.412 . . . . 75.54 111.058 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.48 -53.99 51.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 74.1 110.84 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.3 m 64.34 16.6 10.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 74.35 111.159 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 19.1 m -95.08 -35.74 11.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.25 -0.432 . . . . 72.3 111.145 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.9 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 75.53 110.957 179.902 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.881 0.372 . . . . 70.14 111.075 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -117.01 22.33 12.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 75.43 110.869 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -83.33 129.67 35.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 64.25 111.058 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m -117.85 160.66 21.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 73.21 110.907 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 98.0 m -114.57 80.22 6.08 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.583 0.706 . . . . 74.14 111.152 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -168.34 0.27 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.679 2.253 . . . . 75.41 112.342 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 20.1 tp -60.67 150.1 33.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 75.4 110.941 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 26.5 mt 59.95 58.64 2.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 75.2 110.89 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -144.96 167.56 22.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 64.13 110.895 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -78.0 119.44 21.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 64.55 110.855 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.9 p -133.07 6.43 3.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 71.42 110.815 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.9 t -59.73 -26.06 65.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 72.32 110.843 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -79.72 -19.83 47.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 71.5 110.878 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -165.87 116.0 1.02 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 75.23 110.883 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 31.8 mtm-85 -71.82 -19.95 61.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 74.2 110.9 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -102.02 24.64 9.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 71.33 110.844 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -84.58 -41.32 16.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.203 -0.453 . . . . 72.04 110.85 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 88.3 m -51.78 133.65 31.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 75.02 110.904 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 92.8 m -79.72 164.42 23.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 74.33 110.828 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -80.0 150.17 30.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 71.55 110.868 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -97.85 -164.77 31.48 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.702 -0.761 . . . . 54.45 112.459 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -79.94 -29.16 39.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.736 0.303 . . . . 74.35 110.837 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -105.18 -61.36 1.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 75.43 110.834 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -146.23 139.45 25.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 75.1 110.881 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.02 160.76 2.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 74.21 110.879 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -90.45 167.5 12.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 74.21 110.892 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.7 p -121.71 148.43 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.088 -0.506 . . . . 75.02 111.097 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.5 t -91.9 112.69 24.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 72.13 110.873 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -90.43 154.9 19.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 75.21 110.853 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 87.1 m -140.0 139.77 36.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 71.32 110.918 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -145.27 175.41 10.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 74.22 110.866 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -144.38 153.96 56.34 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.684 0.754 . . . . 71.32 110.917 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 75.08 1.23 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.669 2.246 . . . . 62.13 112.351 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 55.71 26.93 9.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.244 -0.434 . . . . 62.33 110.92 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 169.54 132.45 1.45 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.736 -0.745 . . . . 71.4 112.464 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -80.99 -1.02 42.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.796 0.332 . . . . 64.2 110.879 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -96.74 25.39 5.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.177 -0.465 . . . . 73.21 110.859 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.8 mptt -127.79 -75.17 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 72.02 110.893 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.1 m -151.63 139.86 20.31 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.227 -0.442 . . . . 72.44 111.037 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.02 111.41 23.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 75.52 110.901 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 20.0 t -108.05 118.55 55.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 73.1 111.071 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 62.6 m -119.0 148.48 42.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 71.02 110.89 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.4 p -150.35 154.39 37.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 75.45 110.901 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 t -69.28 127.49 33.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 73.12 110.872 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -140.81 171.41 14.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 72.23 110.932 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -95.22 145.16 29.05 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.589 0.709 . . . . 63.22 110.969 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.65 144.41 54.52 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.696 2.264 . . . . 75.24 112.366 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.84 -19.66 52.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 75.21 110.871 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.26 -58.9 3.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 72.41 110.852 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -35.54 80.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 71.31 110.94 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.0 mtpt -63.7 -62.68 1.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 74.11 110.904 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 50.6 mt -56.27 -52.35 52.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.246 -0.434 . . . . 63.31 111.122 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.73 -44.44 66.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.487 . . . . 71.32 111.151 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -65.59 -34.74 78.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 73.4 110.899 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.25 -33.8 67.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 74.32 110.888 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 97.3 mt -72.21 -47.44 53.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 74.24 111.123 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 49.6 mm -68.34 -41.52 83.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 70.44 111.13 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -66.41 -52.09 50.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.091 -0.504 . . . . 72.11 110.876 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.62 -40.34 94.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 63.32 110.824 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.98 -63.19 1.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.276 -0.42 . . . . 75.54 111.112 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.8 -55.6 21.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 74.1 110.902 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.4 m 64.0 16.42 9.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 74.35 111.149 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 85.5 m -90.09 -28.13 19.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.167 -0.469 . . . . 72.3 111.155 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.1 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 75.53 110.877 179.994 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.876 0.369 . . . . 70.14 111.107 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -110.46 -35.51 6.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 75.43 110.879 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 63.83 35.42 11.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 64.25 111.084 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.9 p -95.7 -173.91 3.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 73.21 110.901 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.7 m -110.23 80.71 1.98 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.564 0.697 . . . . 74.14 111.038 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -166.76 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.672 2.248 . . . . 75.41 112.339 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 15.1 tp -62.48 137.96 58.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 75.4 110.894 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.8 mt 66.85 56.2 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 75.2 110.919 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -145.12 168.42 20.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 64.13 110.874 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -79.76 121.09 24.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 64.55 110.907 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.4 p -123.88 8.71 8.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.284 -0.416 . . . . 71.42 110.872 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.6 t -58.3 -29.02 65.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 72.32 110.893 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 20.7 m-70 -79.59 -20.48 46.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 71.5 110.82 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -162.75 114.46 1.55 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 75.23 110.933 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.1 mtm180 -85.23 -4.81 59.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 74.2 110.867 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.4 m170 -120.77 17.66 11.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 71.33 110.817 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.4 m -100.36 -20.46 15.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 72.04 110.962 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 m -51.77 141.92 16.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.049 -0.523 . . . . 75.02 110.868 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -70.55 176.34 4.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 74.33 110.917 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.6 ttp180 -80.09 177.86 8.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 71.55 110.846 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -119.92 -175.48 15.73 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.815 -0.707 . . . . 54.45 112.459 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -71.35 -34.4 70.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.805 0.335 . . . . 74.35 110.87 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.5 mmt -119.42 -38.78 2.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 75.43 110.95 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -145.72 150.29 35.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 75.1 110.875 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -52.64 155.07 2.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 74.21 110.881 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -78.47 160.42 27.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 74.21 110.874 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.0 p -121.98 149.32 25.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.082 -0.508 . . . . 75.02 111.143 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 35.1 t -96.4 108.32 20.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 72.13 110.921 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -102.13 139.36 37.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.436 . . . . 75.21 110.876 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 57.4 m -123.16 128.06 49.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 71.32 110.883 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -145.75 149.86 35.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 74.22 110.906 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -84.2 153.12 62.57 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.672 0.749 . . . . 71.32 110.887 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 71.13 1.52 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.689 2.259 . . . . 62.13 112.364 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 50.87 29.7 4.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 62.33 110.886 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.66 145.09 4.44 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.677 -0.773 . . . . 71.4 112.47 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -83.93 70.21 10.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.871 0.367 . . . . 64.2 110.886 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.71 -72.09 0.19 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 73.21 110.906 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.55 -48.07 1.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 72.02 110.871 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -161.0 167.88 25.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 72.44 111.164 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -91.18 150.0 21.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 75.52 110.868 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 26.2 t -95.82 127.18 48.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 73.1 111.097 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 81.5 m -96.31 132.87 41.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 71.02 110.805 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.5 p -140.27 157.71 45.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 75.45 110.885 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.6 t -80.31 121.18 25.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 73.12 110.909 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -130.44 -177.62 4.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 72.23 110.907 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -94.09 154.92 40.54 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.592 0.71 . . . . 63.22 110.981 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 173.9 10.34 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.711 2.274 . . . . 75.24 112.323 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.31 -22.64 53.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 75.21 110.93 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.2 -56.21 4.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 72.41 110.837 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.96 -30.12 68.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 71.31 110.851 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.75 -55.12 8.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 74.11 110.836 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 77.9 mt -62.22 -44.02 98.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 63.31 111.116 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.67 -52.59 63.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 71.32 111.085 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -57.89 -40.34 80.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 73.4 110.836 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -60.63 -56.53 20.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 74.32 110.91 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 39.6 mm -55.03 -56.31 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 74.24 111.144 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 40.2 mm -53.89 -46.53 64.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 70.44 111.165 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -56.25 -53.83 52.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 72.11 110.877 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.1 ttmt -64.92 -23.44 67.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 63.32 110.872 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.32 -55.82 8.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.421 . . . . 75.54 111.127 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.99 -28.47 64.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 74.1 110.923 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 97.9 m -74.89 -27.49 60.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 74.35 111.181 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 97.0 m -93.42 -51.17 5.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 72.3 111.173 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 36.5 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 75.53 110.933 179.961 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.119 0 CA-C-O 120.914 0.387 . . . . 70.14 111.093 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.24 107.96 19.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 75.43 110.943 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -155.07 162.91 40.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 64.25 111.086 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.2 m -100.48 161.8 13.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 73.21 110.875 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 97.6 m -114.88 80.09 6.4 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.63 0.729 . . . . 74.14 111.136 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -169.97 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.652 2.235 . . . . 75.41 112.318 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 25.2 tp -59.03 150.76 23.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 75.4 110.938 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 27.6 mt 59.9 59.87 2.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 75.2 110.882 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -145.32 168.35 20.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 64.13 110.815 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -78.59 118.01 20.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 64.55 110.857 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.5 p -126.83 1.39 6.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 71.42 110.875 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.4 t -57.6 -28.85 64.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 72.32 110.803 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 46.8 m170 -80.24 -20.24 45.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 71.5 110.821 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -160.7 120.17 2.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.423 . . . . 75.23 110.877 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 74.6 mtm180 -78.22 -19.39 53.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.458 . . . . 74.2 110.85 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.2 m-70 -108.16 26.75 10.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 71.33 110.855 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.2 p -84.38 -41.25 16.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 72.04 110.798 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 91.7 m -52.06 132.78 33.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 75.02 110.916 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 71.8 m -80.38 161.12 25.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 74.33 110.899 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.6 ttp180 -80.1 152.87 29.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.46 . . . . 71.55 110.911 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -114.07 140.39 16.3 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.79 -0.719 . . . . 54.45 112.505 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.75 -26.96 15.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.8 0.333 . . . . 74.35 110.862 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 51.1 mtm -103.01 -50.86 3.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 75.43 110.934 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -148.07 145.13 28.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 75.1 110.855 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -90.09 142.17 27.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 74.21 110.89 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -91.13 137.09 32.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 74.21 110.936 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.5 m -117.42 150.81 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 75.02 111.096 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 34.5 t -77.1 126.31 30.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 72.13 110.897 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -119.79 127.77 53.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 75.21 110.876 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 76.2 m -107.35 140.77 39.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 71.32 110.905 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -145.96 176.96 9.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.462 . . . . 74.22 110.945 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -138.25 151.94 70.57 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.674 0.75 . . . . 71.32 110.949 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.73 -0.79 7.39 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.695 2.264 . . . . 62.13 112.392 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 76.06 34.0 0.55 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 62.33 110.943 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -164.06 -34.62 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 71.4 112.486 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -101.8 79.18 1.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.818 0.342 . . . . 64.2 110.811 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -67.85 -10.59 54.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 73.21 110.823 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -98.96 19.77 14.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 72.02 110.921 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -159.75 104.08 1.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 72.44 111.201 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.8 135.6 40.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 75.52 110.908 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.7 t -106.38 115.14 47.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 73.1 111.102 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 34.3 m -108.67 141.28 40.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 71.02 110.908 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 74.8 p -149.01 157.39 43.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 75.45 110.917 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.7 t -68.92 121.17 16.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 73.12 110.901 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -142.99 169.4 17.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 72.23 110.959 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -87.07 146.02 39.5 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.631 0.729 . . . . 63.22 110.87 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 145.7 58.08 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.681 2.254 . . . . 75.24 112.384 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.24 -30.44 50.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.421 . . . . 75.21 110.836 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.01 -56.92 11.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.286 -0.415 . . . . 72.41 110.853 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 56.7 m170 -62.89 -30.81 71.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 71.31 110.915 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -64.52 -58.94 4.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 74.11 110.914 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.7 mt -60.15 -45.15 96.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 63.31 111.173 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.54 -52.35 63.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 71.32 111.127 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.92 -46.55 88.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 73.4 110.903 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.8 mmtm -55.89 -50.69 69.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 74.32 110.926 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 27.0 mt -58.25 -55.01 24.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 74.24 111.119 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 38.2 mt -52.28 -51.57 31.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.46 . . . . 70.44 111.119 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -58.35 -47.36 84.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.221 -0.445 . . . . 72.11 110.877 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -60.48 -32.08 71.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 63.32 110.9 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.12 -60.57 2.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 75.54 111.119 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.2 mtpp -53.68 -53.06 57.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 74.1 110.956 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.4 m 64.19 16.29 9.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 74.35 111.133 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -88.1 -23.39 23.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 72.3 111.096 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.6 mt . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.249 -0.432 . . . . 75.53 110.904 179.973 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.872 0.368 . . . . 70.14 111.118 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.82 16.18 15.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 75.43 110.872 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -86.43 47.34 1.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 64.25 111.103 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.6 p -147.44 -174.08 4.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 73.21 110.869 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.9 m -109.43 83.26 2.44 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.549 0.69 . . . . 74.14 111.175 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -170.79 0.41 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.658 2.239 . . . . 75.41 112.351 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.1 tp -64.84 141.95 58.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 75.4 110.955 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.5 mt 65.81 52.02 1.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 75.2 110.932 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -144.85 165.64 27.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 64.13 110.8 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -67.51 103.77 1.41 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 64.55 110.808 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.8 p -104.59 5.25 33.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 71.42 110.931 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.0 t -50.44 -47.3 56.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 72.32 110.85 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -96.04 18.89 12.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 71.5 110.889 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -150.05 94.84 2.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 75.23 110.89 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.6 mtp85 -76.29 -70.46 0.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 74.2 110.85 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -102.08 25.51 8.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 71.33 110.83 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -97.03 -11.9 23.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.315 -0.402 . . . . 72.04 110.846 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.7 m -51.04 151.7 2.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.068 -0.515 . . . . 75.02 110.925 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 20.0 m -64.96 158.02 26.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 74.33 110.875 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -79.98 153.62 28.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 71.55 110.879 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -99.24 -175.7 31.6 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.715 -0.755 . . . . 54.45 112.453 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.96 -24.58 59.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.825 0.345 . . . . 74.35 110.843 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.4 -45.46 1.66 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 75.43 110.899 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -135.87 164.04 28.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 75.1 110.824 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.77 142.23 37.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.496 . . . . 74.21 110.906 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -70.42 145.54 50.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 74.21 110.925 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.4 p -106.97 150.14 9.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.09 -0.504 . . . . 75.02 111.141 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 28.9 t -91.6 125.09 36.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 72.13 110.848 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -107.99 119.83 40.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.481 . . . . 75.21 110.885 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 14.9 m -102.49 143.06 32.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 71.32 110.858 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -145.53 166.53 25.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 74.22 110.842 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -144.05 154.95 58.75 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.758 0.79 . . . . 71.32 110.88 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 74.4 1.32 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.684 2.256 . . . . 62.13 112.287 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 54.65 26.52 7.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 62.33 110.873 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 171.71 142.15 3.61 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.674 -0.774 . . . . 71.4 112.412 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -91.09 14.19 14.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.836 0.35 . . . . 64.2 110.849 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.1 34.12 4.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 73.21 110.815 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -138.51 -75.05 0.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 72.02 110.897 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.1 m -152.08 139.15 19.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.244 -0.435 . . . . 72.44 111.141 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -97.12 108.66 21.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 75.52 110.863 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 14.7 t -107.89 113.47 43.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 73.1 111.129 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 17.5 m -118.72 152.85 35.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 71.02 110.853 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.3 p -149.91 142.37 24.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 75.45 110.835 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 t -68.58 134.22 49.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.082 -0.508 . . . . 73.12 110.895 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -141.39 -179.32 6.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 72.23 110.884 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -95.08 145.39 29.45 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.574 0.702 . . . . 63.22 110.958 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 168.18 22.31 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.683 2.255 . . . . 75.24 112.317 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -52.8 -30.37 32.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 75.21 110.853 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.68 -61.09 2.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.287 -0.415 . . . . 72.41 110.853 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -54.65 -38.0 66.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.081 -0.509 . . . . 71.31 110.816 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -63.5 -65.32 0.7 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.325 -0.398 . . . . 74.11 110.866 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 40.5 mm -54.53 -51.24 51.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 63.31 111.157 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.49 -51.83 51.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 71.32 111.098 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.58 -46.75 80.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 73.4 110.898 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.58 -49.99 69.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 74.32 110.886 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 49.6 mm -59.78 -58.31 7.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 74.24 111.118 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 46.1 mm -53.61 -36.14 27.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 70.44 111.123 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -65.34 -49.23 70.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 72.11 110.899 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.39 -37.64 86.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 63.32 110.918 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.54 -62.37 1.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 75.54 111.054 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.99 -55.64 25.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.294 -0.412 . . . . 74.1 110.935 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.4 m 63.45 16.19 9.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 74.35 111.175 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 54.0 m -89.59 -27.73 20.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 72.3 111.144 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.4 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 75.53 110.936 179.945 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.877 0.37 . . . . 70.14 111.129 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -114.92 127.31 55.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 75.43 110.84 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.13 143.83 56.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 64.25 111.097 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 32.1 p -107.06 -174.16 2.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 73.21 110.897 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.4 m -109.79 82.1 2.23 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.562 0.696 . . . . 74.14 111.163 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 -168.84 0.29 Allowed 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 122.655 2.237 . . . . 75.41 112.343 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.4 tp -60.85 141.48 57.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 75.4 110.888 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.7 mt 66.65 56.84 0.71 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 75.2 110.95 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -147.19 165.94 28.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 64.13 110.851 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -77.11 119.8 21.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.186 -0.461 . . . . 64.55 110.848 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.8 p -133.29 5.6 3.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 71.42 110.881 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.01 -37.63 64.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 72.32 110.866 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -79.3 -20.48 47.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 71.5 110.865 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -154.35 106.66 2.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 75.23 110.861 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.4 mtp180 -84.74 -26.87 27.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 74.2 110.935 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -93.7 16.81 13.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 71.33 110.8 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 85.4 p -100.52 -19.09 16.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 72.04 110.863 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.7 m -51.59 154.94 1.72 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.087 -0.506 . . . . 75.02 110.879 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 10.5 m -69.63 153.42 43.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 74.33 110.913 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.53 170.2 15.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 71.55 110.905 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -116.48 -178.81 18.05 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.706 -0.759 . . . . 54.45 112.543 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.96 -34.63 76.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.776 0.322 . . . . 74.35 110.917 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -123.0 -36.4 2.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 75.43 110.86 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -145.61 138.09 25.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 75.1 110.88 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt -53.19 162.18 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 74.21 110.892 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -75.17 175.32 8.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 74.21 110.889 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.7 p -130.77 148.48 33.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 75.02 111.154 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.8 t -97.97 112.35 24.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 72.13 110.888 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -91.87 123.94 35.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 75.21 110.893 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 38.5 m -104.76 152.43 22.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 71.32 110.864 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -145.24 148.49 33.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 74.22 110.817 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -118.35 77.44 13.42 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.705 0.764 . . . . 71.32 110.926 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 76.42 1.11 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.709 2.272 . . . . 62.13 112.375 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 65.38 30.55 10.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 62.33 110.924 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -164.66 72.58 0.18 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 71.4 112.488 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -69.08 -61.39 1.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.885 0.374 . . . . 64.2 110.882 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -95.44 22.09 7.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.488 . . . . 73.21 110.808 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.7 mttp -117.22 -53.16 2.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 72.02 110.879 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -159.81 103.71 1.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 72.44 111.16 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -88.39 125.51 34.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 75.52 110.852 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 15.1 t -101.97 114.25 40.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.151 -0.477 . . . . 73.1 111.124 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 24.1 m -119.36 152.57 36.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 71.02 110.872 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.7 p -150.01 149.61 30.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 75.45 110.888 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 t -68.78 126.18 28.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 73.12 110.967 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -136.61 169.78 17.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 72.23 110.941 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -88.11 134.47 34.89 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.611 0.719 . . . . 63.22 110.883 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 145.07 55.87 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.647 2.231 . . . . 75.24 112.359 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -59.36 -19.66 48.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 75.21 110.85 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.29 -61.94 1.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 72.41 110.823 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.83 -36.41 83.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.185 -0.462 . . . . 71.31 110.885 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -63.6 1.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 74.11 110.871 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 40.4 mm -58.24 -30.07 38.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 63.31 111.092 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.38 -60.97 2.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 71.32 111.097 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.51 -29.39 69.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 73.4 110.864 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.7 mptt -65.76 -51.63 57.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.175 -0.466 . . . . 74.32 110.902 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 50.5 mt -64.88 -52.17 57.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 74.24 111.185 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 40.6 mm -54.74 -45.56 73.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.106 -0.497 . . . . 70.44 111.144 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -62.96 -57.77 9.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 72.11 110.888 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.43 -27.18 46.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 63.32 110.895 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.35 -59.71 2.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 75.54 111.074 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.5 ptmt -58.01 -25.66 61.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 74.1 110.863 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 95.4 m -75.0 -25.28 58.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 74.35 111.169 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 26.7 m -87.17 -31.61 20.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 72.3 111.111 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 20.2 mt . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 75.53 110.908 179.967 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.842 0.353 . . . . 70.14 111.105 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.63 -31.26 14.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.179 -0.464 . . . . 75.43 110.892 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 62.17 37.79 14.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.274 -0.421 . . . . 64.25 111.131 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m -93.9 156.11 16.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 73.21 110.861 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 93.3 m -114.73 79.55 5.83 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.607 0.718 . . . . 74.14 111.108 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -170.6 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.692 2.262 . . . . 75.41 112.359 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.7 tp -59.96 149.0 33.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 75.4 110.962 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.7 mt 65.78 55.13 1.0 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.235 -0.439 . . . . 75.2 110.935 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -145.63 165.93 27.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 64.13 110.889 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -80.0 114.24 18.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 64.55 110.923 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.0 p -120.64 8.34 10.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 71.42 110.909 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.8 t -59.65 -26.2 65.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 72.32 110.869 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 21.3 m-70 -79.89 -20.09 46.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 71.5 110.878 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -162.96 122.23 2.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 75.23 110.851 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.33 -13.56 58.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 74.2 110.921 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -116.17 28.21 8.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 71.33 110.921 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.7 p -92.42 -35.63 13.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 72.04 110.853 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 63.3 m -51.46 133.01 30.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 75.02 110.825 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 55.1 m -80.22 177.14 9.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 74.33 110.885 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.8 ttp180 -73.66 153.24 40.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 71.55 110.83 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -96.59 -161.77 32.45 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.773 -0.727 . . . . 54.45 112.456 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -80.02 -34.75 38.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.372 . . . . 74.35 110.89 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 46.9 mtt -118.31 -40.49 2.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 75.43 110.915 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -144.17 155.0 43.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 75.1 110.889 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.86 158.18 33.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 74.21 110.909 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -89.89 162.24 15.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 74.21 110.938 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.1 p -128.9 149.65 33.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.479 . . . . 75.02 111.124 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.6 t -88.38 122.15 31.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 72.13 110.889 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -119.69 138.11 53.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 75.21 110.898 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 33.5 m -118.23 134.22 55.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 71.32 110.952 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -145.26 -177.23 5.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 74.22 110.863 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.406 ' HB3' ' HD2' ' A' ' 33' ' ' PRO . 1.5 m-85 -110.59 157.16 39.12 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.674 0.75 . . . . 71.32 110.956 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.406 ' HD2' ' HB3' ' A' ' 32' ' ' TYR . 54.5 Cg_endo -69.72 -2.47 10.2 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.707 2.271 . . . . 62.13 112.396 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 75.69 31.53 0.73 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 62.33 110.9 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -178.48 -57.9 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.732 -0.747 . . . . 71.4 112.49 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -99.94 70.6 1.61 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.859 0.362 . . . . 64.2 110.869 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -76.52 60.14 1.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 73.21 110.855 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.2 mttt -100.3 -17.08 17.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 72.02 110.885 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -159.88 106.79 1.64 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 72.44 111.129 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -51.69 124.86 13.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 75.52 110.906 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 22.1 t -95.07 120.2 44.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.494 . . . . 73.1 111.157 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 62.6 m -102.87 132.59 48.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 71.02 110.86 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 p -139.02 155.74 47.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 75.45 110.877 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 t -73.75 116.32 14.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 73.12 110.852 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -118.56 177.77 4.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 72.23 110.845 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -87.89 156.8 52.3 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.615 0.721 . . . . 63.22 110.83 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 172.48 12.55 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.699 2.266 . . . . 75.24 112.351 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -58.67 -21.68 54.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 75.21 110.934 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 16.1 m -75.82 -53.54 8.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 72.41 110.823 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -64.05 -34.45 78.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 71.31 110.881 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.33 -58.59 3.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 74.11 110.905 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 27.1 mm -55.9 -47.02 80.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 63.31 111.13 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.28 -49.76 75.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 71.32 111.081 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -51.89 -51.07 59.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.428 . . . . 73.4 110.864 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.19 -55.42 35.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 74.32 110.899 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 31.5 mm -52.37 -53.58 18.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 74.24 111.095 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 37.8 mm -58.49 -49.87 80.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 70.44 111.116 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -53.56 -53.49 50.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 72.11 110.902 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -63.78 -32.37 73.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 63.32 110.886 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.64 -50.36 72.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.424 . . . . 75.54 111.105 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.74 -40.42 76.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 74.1 110.816 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.6 m 63.65 16.37 9.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.237 -0.438 . . . . 74.35 111.141 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.4 m -85.98 -20.23 29.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 72.3 111.138 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 19.1 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 75.53 110.92 179.974 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.822 0.344 . . . . 64.25 111.079 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 29.9 p -109.03 -174.13 2.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 73.21 110.917 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.663 HG23 ' HB3' ' A' ' 9' ' ' HIS . 30.9 m -109.81 82.23 2.28 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.594 0.711 . . . . 64.43 111.19 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -168.61 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.728 2.285 . . . . 74.41 112.332 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.5 tp -61.39 142.18 57.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 75.4 110.937 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.2 mt 66.34 56.18 0.8 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 72.31 110.962 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.663 ' HB3' HG23 ' A' ' 5' ' ' THR . 13.9 m80 -146.49 166.97 24.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 61.34 110.843 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -77.87 113.36 15.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 64.55 110.823 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.1 p -125.84 8.5 7.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 71.42 110.901 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.4 t -56.83 -27.37 59.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 72.32 110.89 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -80.12 -20.4 45.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 71.5 110.87 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -162.77 119.01 1.87 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 75.23 110.891 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.0 mtm-85 -85.03 -20.66 30.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 74.2 110.881 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.3 m170 -103.95 19.41 20.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 71.22 110.861 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.9 m -100.11 -21.18 15.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 72.04 110.852 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.7 m -51.35 157.6 0.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 75.02 110.917 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.9 m -66.14 155.64 36.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 64.14 110.854 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.6 ttt85 -80.14 161.66 25.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 71.55 110.835 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -114.05 -177.64 19.18 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.754 -0.736 . . . . 54.45 112.494 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.31 -34.58 65.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.811 0.339 . . . . 73.41 110.888 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 5.1 mtt -107.94 -46.16 3.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 73.11 110.868 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -146.89 175.69 10.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 75.1 110.908 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.0 145.96 29.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 74.21 110.878 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -57.32 166.56 1.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 74.21 110.94 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -117.67 136.52 54.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 75.02 111.113 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.4 t -92.09 114.13 26.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 72.13 110.908 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -92.46 149.59 21.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 75.21 110.868 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 35.4 m -131.75 151.4 51.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 71.32 110.902 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -145.06 148.1 33.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 74.22 110.94 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -121.8 77.37 39.01 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.665 0.745 . . . . 71.32 110.955 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 76.81 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.725 2.284 . . . . 62.13 112.344 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 65.71 30.52 10.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 62.33 110.878 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -164.68 70.2 0.2 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.764 -0.731 . . . . 63.23 112.504 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -79.13 -40.9 29.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 64.2 110.849 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -100.08 14.23 31.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 73.21 110.882 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.53 -61.02 1.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 70.31 110.911 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -160.31 107.19 1.57 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 72.44 111.12 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.55 129.6 34.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.453 . . . . 75.52 110.899 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.9 t -96.44 115.33 35.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 73.1 111.14 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 39.1 m -118.76 153.24 34.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 71.02 110.902 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.8 p -150.09 152.23 34.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 73.1 110.851 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 2.2 t -72.11 129.95 39.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 42.14 110.885 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -140.83 167.02 23.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 72.23 110.972 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -95.2 145.76 30.1 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.563 0.697 . . . . 63.22 110.909 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 169.82 18.03 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.661 2.241 . . . . 73.1 112.363 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.64 -33.35 71.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 73.41 110.889 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.7 m -64.61 -53.67 44.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.437 . . . . 71.41 110.855 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.92 -46.42 89.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 71.31 110.894 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -61.7 2.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.445 . . . . 62.25 110.929 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 35.8 mt -51.27 -46.81 33.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 63.31 111.155 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.41 -59.13 4.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 71.32 111.121 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.1 -48.43 64.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 71.55 110.877 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.9 mmtt -51.07 -55.1 19.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 74.32 110.922 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 42.4 mm -57.52 -51.18 73.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 74.24 111.123 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 43.9 mt -52.66 -56.88 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 70.44 111.134 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -56.52 -44.86 81.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 72.11 110.898 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.5 ttmt -56.45 -58.66 7.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 63.32 110.881 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 51.11 111.082 179.836 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.796 0.331 . . . . 64.25 111.119 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m -101.61 161.27 13.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.295 -0.411 . . . . 73.21 110.932 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.59 HG23 ' HB3' ' A' ' 9' ' ' HIS . 97.8 m -116.3 80.77 10.05 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.58 0.705 . . . . 64.43 111.178 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -168.84 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.638 2.225 . . . . 74.41 112.375 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.675 HD12 ' O ' ' A' ' 44' ' ' CYS . 20.2 tp -60.54 150.41 31.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 75.4 110.9 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.511 ' H ' HD12 ' A' ' 7' ' ' LEU . 26.1 mt 59.91 58.44 2.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 72.31 110.989 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.59 ' HB3' HG23 ' A' ' 5' ' ' THR . 6.4 m80 -145.49 168.16 21.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 61.34 110.838 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.56 116.47 18.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 64.55 110.914 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.8 p -129.37 4.82 5.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 71.42 110.84 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 t -60.12 -24.4 64.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 72.32 110.86 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -79.7 -18.09 52.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 71.5 110.877 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -167.6 115.31 0.76 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 75.23 110.824 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.5 mtm180 -70.82 -13.06 61.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 74.2 110.86 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -110.43 25.24 11.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 71.22 110.875 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.7 m -86.27 -38.35 17.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 72.04 110.824 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 98.7 m -54.9 132.61 46.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 75.02 110.84 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 85.0 m -79.56 164.63 23.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 64.14 110.841 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 49.0 ttt85 -79.9 156.69 27.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 71.55 110.87 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -104.69 -159.98 23.84 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.717 -0.754 . . . . 54.45 112.502 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -77.49 -33.24 54.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.768 0.318 . . . . 73.41 110.851 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 17.2 mtt -100.18 -67.98 0.83 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 73.11 110.851 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -133.62 172.15 13.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 75.1 110.874 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -84.29 145.96 28.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 74.21 110.907 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -74.02 166.14 23.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 74.21 110.888 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.0 p -122.65 149.31 26.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 75.02 111.126 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 50.4 t -94.28 114.43 26.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 72.13 110.874 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -92.61 149.19 21.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 75.21 110.856 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 63.4 m -133.07 139.68 47.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 71.32 110.89 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -145.39 172.76 12.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 74.22 110.885 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -143.65 152.8 57.19 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.69 0.757 . . . . 71.32 110.952 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 73.95 1.3 Allowed 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.722 2.282 . . . . 62.13 112.34 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 55.47 25.55 7.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 62.33 110.916 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 174.7 120.88 0.61 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.752 -0.737 . . . . 63.23 112.503 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.7 pt-20 -74.23 -8.57 56.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.844 0.354 . . . . 64.2 110.959 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.01 10.63 23.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 73.21 110.819 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -110.18 -75.08 0.63 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.256 -0.429 . . . . 70.31 110.848 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.3 m -150.79 139.0 20.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 72.44 111.126 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.45 113.16 25.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 75.52 110.88 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.6 t -113.48 115.97 51.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 73.1 111.086 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 57.9 m -114.49 152.74 31.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 71.02 110.852 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 p -150.46 151.15 32.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 73.1 110.856 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.675 ' O ' HD12 ' A' ' 7' ' ' LEU . 1.8 t -67.99 127.89 34.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 42.14 110.856 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -140.47 170.93 14.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 72.23 110.935 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -95.26 146.51 31.45 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.59 0.709 . . . . 63.22 110.95 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 168.85 20.31 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.71 2.273 . . . . 73.1 112.35 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.06 -29.13 60.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 73.41 110.977 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.2 p -68.27 -55.44 12.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 71.41 110.907 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.78 -41.34 86.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 71.31 110.867 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -63.05 1.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 62.25 110.891 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 50.5 mt -54.23 -50.57 55.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 63.31 111.114 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.43 -54.08 36.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 71.32 111.116 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -55.82 -42.12 75.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 71.55 110.858 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -58.52 -51.9 67.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 74.32 110.887 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 49.3 mm -58.27 -58.14 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 74.24 111.102 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 50.5 mm -52.62 -40.74 35.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 70.44 111.155 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -60.38 -63.51 1.28 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 72.11 110.912 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.87 -25.66 61.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 63.32 110.894 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 51.11 111.098 179.856 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.89 0.376 . . . . 64.25 111.038 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.4 m -144.8 160.23 41.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 73.21 110.926 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.539 HG23 ' HB3' ' A' ' 9' ' ' HIS . 98.2 m -118.74 81.21 18.36 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.568 0.699 . . . . 64.43 111.103 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -172.88 0.62 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.659 2.24 . . . . 74.41 112.347 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.0 tp -59.04 146.34 38.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 75.4 110.97 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.0 mt 65.9 57.61 0.8 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.239 -0.437 . . . . 72.31 110.888 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.539 ' HB3' HG23 ' A' ' 5' ' ' THR . 12.8 m80 -146.68 170.69 16.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 61.34 110.866 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.79 123.16 27.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.26 -0.427 . . . . 64.55 110.9 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 22.0 p -132.17 5.44 4.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 71.42 110.903 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.58 -25.37 66.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.155 -0.475 . . . . 72.32 110.839 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 -79.72 -18.51 51.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.482 . . . . 71.5 110.887 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -167.33 123.39 1.12 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 75.23 110.881 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 48.7 mtm180 -78.2 -17.73 56.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 74.2 110.854 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 -109.68 35.39 3.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 71.22 110.856 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -97.47 -35.94 10.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 72.04 110.891 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 68.4 m -53.68 131.79 39.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.064 -0.516 . . . . 75.02 110.79 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 65.6 m -80.65 167.57 19.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 64.14 110.938 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -80.1 152.56 29.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.291 -0.413 . . . . 71.55 110.82 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -105.8 -176.31 23.86 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.784 -0.722 . . . . 54.45 112.479 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.83 -24.79 41.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.795 0.331 . . . . 73.41 110.928 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.3 mtt -108.99 -52.42 2.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 73.11 110.809 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -146.64 158.21 43.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 75.1 110.821 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.66 145.62 28.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 74.21 110.891 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -90.01 147.11 23.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 74.21 110.929 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.564 HG22 ' H ' ' A' ' 28' ' ' CYS . 0.6 OUTLIER -118.76 176.66 3.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 75.02 111.154 179.875 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.564 ' H ' HG22 ' A' ' 27' ' ' VAL . 12.3 t -100.3 116.08 31.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 72.13 110.857 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -103.08 113.82 27.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 75.21 110.858 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 94.3 m -100.77 137.76 38.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 71.32 110.92 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -145.25 178.98 7.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.466 . . . . 74.22 110.846 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -143.46 153.97 59.56 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.76 0.791 . . . . 71.32 110.902 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 74.05 1.32 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.686 2.257 . . . . 62.13 112.327 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 54.75 26.63 7.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 62.33 110.843 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 177.07 124.24 0.83 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.709 -0.758 . . . . 63.23 112.476 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -75.07 -10.42 59.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.844 0.354 . . . . 64.2 110.873 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.0 27.71 3.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 73.21 110.876 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.3 mttm -124.01 -74.8 0.6 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 70.31 110.872 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 89.7 m -154.12 140.24 18.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.254 -0.43 . . . . 72.44 111.213 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -96.46 116.12 28.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.273 -0.421 . . . . 75.52 110.942 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 18.2 t -114.58 117.73 56.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 73.1 111.157 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.1 m -117.43 139.64 50.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 71.02 110.84 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.0 p -145.59 155.53 43.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.129 -0.487 . . . . 73.1 110.801 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 2.3 t -68.01 116.26 8.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.498 . . . . 42.14 110.891 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -143.62 173.78 11.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 72.23 110.895 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -87.0 143.04 34.41 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.586 0.707 . . . . 63.22 110.89 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 148.7 65.78 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.625 2.217 . . . . 73.1 112.343 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.15 -28.94 56.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 73.41 110.892 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.74 -51.73 52.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 71.41 110.801 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 49.9 m170 -64.02 -41.6 97.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 71.31 110.843 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.8 mmtp -59.83 -58.51 8.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 62.25 110.918 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 38.8 mt -55.49 -48.5 77.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 63.31 111.166 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.72 -57.88 8.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 71.32 111.054 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.01 -44.03 70.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 71.55 110.917 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.3 mmmt -54.29 -53.36 54.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 74.32 110.914 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 49.4 mm -58.25 -56.81 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 74.24 111.13 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 49.8 mm -51.58 -55.33 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 70.44 111.076 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -51.99 -45.39 64.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 72.11 110.859 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.2 ttmm -65.41 -33.72 76.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 63.32 110.898 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 51.11 111.132 179.787 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.881 0.372 . . . . 64.25 111.095 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.48 -175.47 3.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 73.21 110.868 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 92.2 m -138.86 87.55 14.4 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.577 0.703 . . . . 64.43 111.146 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.83 -171.97 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.63 2.22 . . . . 74.41 112.353 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.3 tp -64.89 141.33 58.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.268 -0.423 . . . . 75.4 110.91 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.2 mt 66.25 53.31 1.04 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 72.31 110.903 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -143.59 167.29 22.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 61.34 110.949 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -71.01 119.76 15.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.223 -0.444 . . . . 64.55 110.862 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.0 p -128.79 2.13 5.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.431 . . . . 71.42 110.871 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.2 t -58.1 -27.87 64.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 72.32 110.915 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -79.93 -20.36 45.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 71.5 110.886 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -161.54 115.99 1.98 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 75.23 110.89 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 50.7 mtm180 -84.98 -9.61 57.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 74.2 110.906 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -118.4 24.58 10.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 71.22 110.871 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -100.0 -26.83 13.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 72.04 110.878 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 48.6 m -51.89 131.96 31.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.49 . . . . 75.02 110.933 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -52.93 171.99 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 64.14 110.895 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.1 ttp180 -80.75 166.02 21.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 71.55 110.94 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -111.87 161.67 12.67 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.724 -0.751 . . . . 54.45 112.471 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.36 -35.31 37.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 73.41 110.892 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.7 mtt -117.14 -45.15 2.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 73.11 110.863 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -146.03 142.77 28.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 75.1 110.889 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.38 156.67 1.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 74.21 110.882 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -77.86 163.31 26.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 74.21 110.94 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.0 p -115.56 149.03 17.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.07 -0.514 . . . . 75.02 111.174 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 51.6 t -97.49 112.4 24.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 72.13 110.892 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -93.88 122.69 36.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 75.21 110.807 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.6 m -107.09 150.23 26.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 71.32 110.971 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -141.72 153.58 44.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 74.22 110.887 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -125.31 77.62 68.01 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.644 0.735 . . . . 71.32 110.937 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 75.9 1.15 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.729 2.286 . . . . 62.13 112.356 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 65.04 30.67 11.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.302 -0.408 . . . . 62.33 110.841 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -167.29 76.82 0.12 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.778 -0.725 . . . . 63.23 112.503 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -96.41 21.21 9.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.829 0.347 . . . . 64.2 110.914 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -110.16 -57.23 2.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.111 -0.495 . . . . 73.21 110.84 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.66 22.3 2.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 70.31 110.933 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -138.98 55.37 1.71 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 72.44 111.152 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -90.59 121.5 32.57 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.277 -0.419 . . . . 75.52 110.854 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 14.3 t -104.99 113.28 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 73.1 111.128 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 18.8 m -119.08 153.39 34.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 71.02 110.867 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.4 p -148.89 151.0 33.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 73.1 110.865 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 t -73.69 128.82 36.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 42.14 110.931 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -140.67 175.07 9.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 72.23 110.943 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -95.71 146.76 31.88 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.609 0.719 . . . . 63.22 110.889 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 171.0 15.25 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.661 2.241 . . . . 73.1 112.29 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.62 -28.23 65.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 73.41 110.861 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.0 m -68.84 -55.4 11.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 71.41 110.926 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -60.62 -39.05 86.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 71.31 110.895 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.1 mmtp -64.86 -64.31 0.9 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.156 -0.474 . . . . 62.25 110.882 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 54.5 mt -53.36 -42.74 49.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 63.31 111.142 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.18 -58.84 6.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 71.32 111.089 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -54.2 -37.42 64.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 71.55 110.897 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -62.17 -54.98 33.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 74.32 110.933 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 50.9 mt -55.87 -51.66 57.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 74.24 111.137 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 47.3 mm -57.38 -56.12 16.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.457 . . . . 70.44 111.145 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -51.95 -48.96 64.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.175 -0.466 . . . . 72.11 110.815 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -60.72 -35.93 77.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.192 -0.458 . . . . 63.32 110.813 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 51.11 111.104 179.909 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.81 0.338 . . . . 64.25 111.035 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.2 m -127.83 161.12 29.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.423 . . . . 73.21 110.855 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.679 HG23 ' HB3' ' A' ' 9' ' ' HIS . 94.4 m -113.14 78.87 3.36 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.643 0.735 . . . . 64.43 111.138 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -169.04 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.746 2.297 . . . . 74.41 112.335 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.625 HD12 ' O ' ' A' ' 44' ' ' CYS . 20.0 tp -58.22 150.43 21.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 75.4 110.953 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.537 ' H ' HD12 ' A' ' 7' ' ' LEU . 27.9 mt 59.73 61.03 2.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.215 -0.448 . . . . 72.31 110.898 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.679 ' HB3' HG23 ' A' ' 5' ' ' THR . 5.6 m80 -144.86 168.08 21.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 61.34 110.888 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -77.59 119.22 20.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 64.55 110.932 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.9 p -130.14 3.27 4.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.419 . . . . 71.42 110.884 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.78 -39.45 71.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 72.32 110.918 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -80.79 -14.99 57.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 71.5 110.899 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -158.0 112.99 2.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 75.23 110.877 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -84.35 -18.94 34.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 74.2 110.867 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -107.52 24.75 12.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 71.22 110.811 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.2 p -87.07 -37.16 17.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 72.04 110.844 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 97.4 m -52.22 131.68 32.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 75.02 110.872 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 62.7 m -80.04 158.18 26.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 64.14 110.838 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -59.35 171.4 0.79 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 71.55 110.831 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -113.06 -154.87 11.72 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.669 -0.777 . . . . 54.45 112.452 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -79.51 -34.49 41.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.836 0.35 . . . . 73.41 110.912 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -120.11 -47.71 2.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.489 . . . . 73.11 110.863 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -131.91 163.02 29.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 75.1 110.811 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -83.72 145.36 28.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 74.21 110.918 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -72.23 165.65 24.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 74.21 110.925 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.7 p -125.93 148.91 30.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 75.02 111.079 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.2 t -93.34 118.32 31.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 72.13 110.915 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -96.07 155.6 16.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 75.21 110.863 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 85.3 m -138.29 138.37 38.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 71.32 110.817 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -145.32 172.83 12.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 74.22 110.837 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -140.47 153.92 68.92 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.642 0.734 . . . . 71.32 110.915 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 74.0 1.33 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.7 2.267 . . . . 62.13 112.322 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 56.52 24.5 8.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 62.33 110.861 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 174.69 124.66 0.81 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.727 -0.749 . . . . 63.23 112.477 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.5 pm0 -76.56 -7.47 55.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.88 0.371 . . . . 64.2 110.886 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -90.86 12.31 19.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 73.21 110.912 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.6 mmtp -112.28 -73.5 0.67 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 70.31 110.854 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.4 m -153.94 141.94 20.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.285 -0.416 . . . . 72.44 111.166 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -100.05 116.51 32.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 75.52 110.899 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 17.1 t -114.01 117.05 54.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 73.1 111.14 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 61.5 m -115.98 149.44 38.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 71.02 110.871 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.2 p -150.32 152.06 33.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 73.1 110.872 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.625 ' O ' HD12 ' A' ' 7' ' ' LEU . 1.8 t -67.59 128.17 35.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.088 -0.505 . . . . 42.14 110.88 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -140.97 169.28 17.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 72.23 110.948 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -95.2 146.79 31.94 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.647 0.736 . . . . 63.22 110.872 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 173.99 10.13 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.65 2.234 . . . . 73.1 112.388 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.2 -28.62 66.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 73.41 110.967 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.35 -58.88 3.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 71.41 110.845 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.57 -38.42 77.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 71.31 110.846 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.56 -62.93 1.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 62.25 110.851 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 49.8 mt -54.46 -48.15 69.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 63.31 111.114 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.12 -55.38 24.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 71.32 111.109 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -55.34 -43.52 75.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 71.55 110.917 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -55.83 -52.35 64.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 74.32 110.879 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 47.2 mm -58.77 -57.25 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 74.24 111.107 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 43.8 mm -52.1 -34.17 17.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 70.44 111.165 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -68.18 -59.94 2.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 72.11 110.899 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.5 mtmt -58.66 -25.29 62.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 63.32 110.919 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 51.11 111.054 179.863 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.792 0.329 . . . . 64.25 111.105 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.7 p -101.05 -174.49 2.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.421 . . . . 73.21 110.854 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 57.2 m -110.52 80.79 2.14 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.614 0.721 . . . . 64.43 111.15 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -168.84 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.69 2.26 . . . . 74.41 112.328 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.0 tp -65.08 136.43 56.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 75.4 110.89 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.1 mt 66.18 53.1 1.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 72.31 110.937 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.2 m80 -143.49 167.5 22.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 61.34 110.862 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -66.01 117.62 8.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 64.55 110.84 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.6 p -119.93 5.18 10.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 71.42 110.922 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.7 t -54.13 -45.7 72.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 72.32 110.825 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -96.06 15.82 19.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 71.5 110.883 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -154.53 101.4 2.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 75.23 110.884 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 -85.22 -68.04 0.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 74.2 110.841 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -94.58 26.86 3.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 71.22 110.909 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.25 -16.19 17.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 72.04 110.864 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.2 m -50.54 142.45 10.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 75.02 110.88 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -66.23 174.36 2.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 64.14 110.87 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.34 168.04 20.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 71.55 110.842 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -113.3 -150.62 10.68 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.72 -0.752 . . . . 54.45 112.495 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.62 -34.72 40.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.843 0.354 . . . . 73.41 110.894 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 5.1 mmt -127.25 -40.86 1.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 73.11 110.893 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -132.53 176.75 8.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 75.1 110.864 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -82.08 145.73 30.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 74.21 110.916 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -72.66 158.17 36.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.294 -0.412 . . . . 74.21 110.909 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.7 p -115.87 147.99 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 75.02 111.164 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 33.5 t -89.74 128.06 36.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 72.13 110.903 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -116.18 128.09 55.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 75.21 110.922 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 62.8 m -109.36 143.81 38.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 71.32 110.852 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -145.13 152.57 40.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 74.22 110.924 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -131.0 154.73 82.11 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.636 0.732 . . . . 71.32 110.951 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 74.54 1.29 Allowed 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.646 2.231 . . . . 62.13 112.342 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 57.05 23.9 8.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 62.33 110.898 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 165.02 149.19 5.74 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.699 -0.762 . . . . 63.23 112.471 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.5 pm0 -95.87 28.58 3.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.867 0.365 . . . . 64.2 110.943 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -110.16 15.99 22.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.119 -0.491 . . . . 73.21 110.876 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -128.2 -75.11 0.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 70.31 110.935 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.4 m -155.1 138.25 15.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 72.44 111.144 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.85 114.16 27.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 75.52 110.913 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 20.7 t -106.0 118.97 54.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 73.1 111.12 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.7 m -121.05 148.58 43.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 71.02 110.874 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.8 p -149.98 151.4 33.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 73.1 110.9 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 t -74.61 128.06 34.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 42.14 110.861 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -136.99 -176.82 4.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 72.23 110.891 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -95.13 145.18 29.07 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.589 0.709 . . . . 63.22 110.954 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 170.7 15.93 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.702 2.268 . . . . 73.1 112.373 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.35 -30.02 62.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 73.41 110.977 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.95 -56.85 8.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 71.41 110.854 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -57.89 -42.95 85.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 71.31 110.957 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.3 mttt -60.06 -61.16 2.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 62.25 110.934 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 42.5 mt -56.08 -45.81 80.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 63.31 111.149 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.58 -55.26 34.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.1 -0.5 . . . . 71.32 111.099 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -55.83 -44.0 77.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 71.55 110.919 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.1 mmtt -57.28 -46.55 83.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 74.32 110.835 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 37.3 mt -62.42 -55.39 24.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 74.24 111.055 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 43.7 mm -53.11 -41.79 43.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 70.44 111.154 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -62.31 -56.75 15.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 72.11 110.808 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.63 -25.54 66.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 63.32 110.971 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 51.11 111.06 179.835 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.883 0.373 . . . . 64.25 111.051 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 29.6 p -100.02 -174.16 2.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 73.21 110.818 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.1 m -109.6 82.98 2.42 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.569 0.7 . . . . 64.43 111.113 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -69.87 -172.06 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.647 2.231 . . . . 74.41 112.262 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.3 tp -65.37 143.24 57.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 75.4 110.888 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.5 mt 65.41 51.26 1.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 72.31 110.897 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.2 m80 -145.49 165.58 28.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 61.34 110.814 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -66.25 111.69 3.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 64.55 110.885 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.2 p -113.93 6.52 16.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 71.42 110.916 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.42 -48.47 56.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.098 -0.501 . . . . 72.32 110.904 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -94.28 18.35 11.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.076 -0.511 . . . . 71.5 110.869 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -150.3 98.22 2.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 75.23 110.846 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.5 mtm-85 -76.25 -74.51 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 74.2 110.925 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -100.95 28.4 5.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 71.22 110.83 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -96.18 -10.84 27.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 72.04 110.869 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.3 m -51.3 156.67 1.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 75.02 110.869 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.9 m -67.32 153.95 42.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 64.14 110.862 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -79.92 152.46 29.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 71.55 110.919 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -100.22 -171.33 29.67 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.759 -0.734 . . . . 54.45 112.513 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -77.08 -26.68 53.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.807 0.337 . . . . 73.41 110.868 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.8 mmt -118.48 -49.64 2.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.429 . . . . 73.11 110.924 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -146.33 142.27 28.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 75.1 110.865 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.94 164.33 0.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.49 . . . . 74.21 110.949 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -89.18 162.18 16.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 74.21 110.998 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.7 p -114.99 148.77 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 75.02 111.14 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 29.5 t -93.62 123.63 37.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 72.13 110.881 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -108.22 127.84 54.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.221 -0.445 . . . . 75.21 110.94 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 51.9 m -109.73 141.91 41.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 71.32 110.887 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -145.5 172.72 12.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 74.22 110.864 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -144.13 153.96 57.22 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.705 0.764 . . . . 71.32 110.916 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 74.33 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.746 2.297 . . . . 62.13 112.311 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 56.69 24.44 8.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 62.33 110.921 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 174.52 127.71 1.03 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.72 -0.753 . . . . 63.23 112.472 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -77.46 -5.74 51.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.833 0.349 . . . . 64.2 110.849 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.92 24.22 5.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 73.21 110.901 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.0 mttm -123.54 -74.76 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 70.31 110.881 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.5 m -151.55 132.61 14.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.247 -0.433 . . . . 72.44 111.155 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -91.87 111.06 22.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 75.52 110.92 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.1 t -112.82 115.07 48.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 73.1 111.067 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 16.6 m -116.14 152.14 34.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 71.02 110.919 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.3 p -150.07 146.08 26.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 73.1 110.942 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 t -70.83 131.18 43.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 42.14 110.839 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -143.34 177.83 8.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 72.23 110.869 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -95.3 146.51 31.44 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.601 0.715 . . . . 63.22 110.858 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 166.73 26.61 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.664 2.243 . . . . 73.1 112.369 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.5 -28.3 44.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 73.41 110.877 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.5 m -69.08 -57.26 5.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 71.41 110.844 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.14 -37.71 75.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 71.31 110.814 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt -65.36 -61.4 2.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 62.25 110.845 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 38.0 mt -55.73 -51.02 63.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 63.31 111.142 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.28 -50.96 66.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 71.32 111.068 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -57.86 -40.62 80.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.977 0.417 . . . . 71.55 110.91 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.74 -45.78 92.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.077 -0.51 . . . . 74.32 110.948 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 57.3 mt -61.95 -55.45 24.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 74.24 111.195 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 50.4 mm -55.54 -43.61 73.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 70.44 111.111 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.37 -47.87 80.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 72.11 110.934 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.55 -43.4 97.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 63.32 110.93 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 51.11 111.117 179.795 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.785 0.326 . . . . 64.25 111.127 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m -98.22 163.09 12.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 73.21 110.889 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.564 HG23 ' HB3' ' A' ' 9' ' ' HIS . 98.6 m -120.36 82.09 31.23 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.525 0.679 . . . . 64.43 111.137 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.83 -170.56 0.4 Allowed 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.625 2.217 . . . . 74.41 112.367 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.9 tp -61.2 147.34 44.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 75.4 110.875 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.8 mt 64.8 56.26 1.14 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 72.31 110.919 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.564 ' HB3' HG23 ' A' ' 5' ' ' THR . 10.9 m80 -145.25 167.69 22.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 61.34 110.859 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -76.27 120.59 21.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 64.55 110.847 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.2 p -130.27 3.45 4.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 71.42 110.901 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.4 t -60.79 -24.49 65.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 72.32 110.816 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -79.73 -19.58 48.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.074 -0.512 . . . . 71.5 110.814 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -166.06 124.49 1.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 75.23 110.852 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.7 mtt180 -78.88 -16.33 57.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 74.2 110.853 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -108.79 27.84 9.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.487 . . . . 71.22 110.851 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.7 m -89.21 -40.06 13.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 72.04 110.864 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 83.5 m -52.52 131.63 34.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 75.02 110.909 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 50.5 m -80.5 170.05 16.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 64.14 110.867 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -80.2 157.16 26.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 71.55 110.883 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -116.4 148.46 18.88 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.742 -0.742 . . . . 54.45 112.531 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -51.74 -29.88 20.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.755 0.312 . . . . 73.41 110.855 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 17.1 mtm -100.62 -57.0 2.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 73.11 110.94 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -145.71 156.19 43.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 75.1 110.88 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.3 ttpt -84.75 143.51 29.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 74.21 110.879 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -90.54 148.27 22.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 74.21 110.923 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.568 HG22 ' H ' ' A' ' 28' ' ' CYS . 0.6 OUTLIER -120.2 176.4 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 75.02 111.163 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.568 ' H ' HG22 ' A' ' 27' ' ' VAL . 9.9 t -100.72 115.43 30.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 72.13 110.919 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.65 117.84 35.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 75.21 110.86 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 64.3 m -99.84 154.04 18.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 71.32 110.893 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -143.13 143.31 31.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 74.22 110.898 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -115.13 77.52 5.23 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.671 0.748 . . . . 71.32 110.945 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 76.59 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.689 2.259 . . . . 62.13 112.364 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 65.62 30.49 10.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 62.33 110.897 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -164.75 72.51 0.18 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.726 -0.75 . . . . 63.23 112.496 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -65.72 -62.34 1.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.881 0.372 . . . . 64.2 110.898 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.93 27.57 4.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.498 . . . . 73.21 110.823 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -122.66 -52.47 1.91 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.266 -0.425 . . . . 70.31 110.935 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -159.39 105.57 1.69 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 72.44 111.133 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -100.1 136.31 40.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 75.52 110.826 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.4 t -109.65 118.9 57.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 73.1 111.113 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 34.3 m -119.28 137.02 53.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 71.02 110.86 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.7 p -141.95 158.56 43.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 73.1 110.868 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 2.0 t -69.87 114.91 8.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 42.14 110.853 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -145.11 -179.92 6.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 72.23 110.888 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -89.23 141.67 29.34 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.552 0.692 . . . . 63.22 110.89 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 151.48 68.82 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.671 2.247 . . . . 73.1 112.327 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.68 -25.17 38.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 73.41 110.914 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.59 -53.15 24.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 71.41 110.872 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -66.29 -32.87 74.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.493 . . . . 71.31 110.869 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.667 ' HE2' HD13 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -69.81 -47.07 64.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 62.25 110.888 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.667 HD13 ' HE2' ' A' ' 51' ' ' LYS . 16.6 mm -63.47 -46.74 94.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 63.31 111.124 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.5 -53.34 57.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 71.32 111.103 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.92 -44.94 74.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 71.55 110.887 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.3 mptt -58.95 -52.43 65.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 74.32 110.925 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 22.8 mt -55.12 -57.83 6.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 74.24 111.116 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 43.4 mm -52.5 -51.55 33.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 70.44 111.133 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -52.37 -49.74 63.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 72.11 110.889 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.1 tptm -65.13 -31.29 72.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 63.32 110.887 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 51.11 111.154 179.826 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.861 0.363 . . . . 64.25 111.093 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.9 p -129.4 -174.11 3.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 73.21 110.906 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 26.3 m -109.19 84.0 2.62 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.618 0.723 . . . . 64.43 111.152 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -169.85 0.36 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.737 2.291 . . . . 74.41 112.267 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.487 HD12 ' H ' ' A' ' 8' ' ' LEU . 21.4 tp -65.7 146.28 54.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 75.4 110.929 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.487 ' H ' HD12 ' A' ' 7' ' ' LEU . 25.5 mt 59.19 52.91 5.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 72.31 110.917 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 6.6 m80 -144.13 166.21 25.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 61.34 110.897 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -65.14 106.55 1.32 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.292 -0.413 . . . . 64.55 110.831 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.7 p -107.1 2.53 25.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 71.42 110.948 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.8 t -51.6 -46.31 63.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 72.32 110.883 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 41.7 m-70 -94.01 13.29 23.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 71.5 110.826 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.406 ' HB3' ' HB2' ' A' ' 17' ' ' SER . 0.0 OUTLIER -154.8 92.72 1.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 75.23 110.925 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 70.3 mtm180 -75.76 -74.94 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 74.2 110.831 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -93.87 25.38 3.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 71.22 110.81 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.406 ' HB2' ' HB3' ' A' ' 14' ' ' ASP . 1.6 m -100.34 -8.64 23.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 72.04 110.835 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.4 m -50.79 157.43 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 75.02 110.886 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 17.4 m -66.89 152.77 45.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 64.14 110.882 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.1 ttp85 -79.83 149.55 30.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 71.55 110.912 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -98.8 -172.27 31.69 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.803 -0.713 . . . . 54.45 112.448 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -75.52 -29.2 59.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.829 0.347 . . . . 73.41 110.815 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -112.8 -52.44 2.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 73.11 110.829 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -145.98 147.86 32.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 75.1 110.835 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.3 pttt -52.41 166.51 0.18 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.093 -0.503 . . . . 74.21 110.871 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -89.68 159.23 17.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 74.21 110.938 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -115.42 138.82 44.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 75.02 111.14 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.1 t -87.38 132.95 33.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 72.13 110.935 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -119.83 131.33 55.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 75.21 110.897 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 25.2 m -108.33 153.9 22.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 71.32 110.874 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -145.14 160.28 41.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 74.22 110.896 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -132.74 78.97 65.28 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.686 0.755 . . . . 71.32 110.942 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 77.67 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.707 2.271 . . . . 62.13 112.355 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 63.04 30.89 16.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.3 -0.409 . . . . 62.33 110.881 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -164.44 65.39 0.23 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.783 -0.722 . . . . 63.23 112.544 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.1 -42.07 48.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.891 0.377 . . . . 64.2 110.875 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -95.56 14.19 23.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 73.21 110.897 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.93 -63.88 1.39 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 70.31 110.875 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -160.41 102.62 1.39 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 72.44 111.173 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.73 136.68 40.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 75.52 110.813 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.3 t -103.69 115.85 46.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 73.1 111.137 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 18.9 m -117.3 148.81 41.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 71.02 110.88 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.5 p -150.02 147.57 27.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 73.1 110.842 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.454 ' O ' HD12 ' A' ' 7' ' ' LEU . 1.8 t -70.67 132.9 46.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 42.14 110.957 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -140.19 173.7 11.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 72.23 110.896 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -94.98 144.89 28.56 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.686 0.755 . . . . 63.22 110.892 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.72 171.08 15.08 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.677 2.252 . . . . 73.1 112.413 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.09 -30.05 65.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.231 -0.441 . . . . 73.41 110.902 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.7 t -67.5 -55.87 11.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 71.41 110.795 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.24 -40.72 86.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 71.31 110.86 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.5 mtpt -61.96 -59.62 4.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 62.25 110.878 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 44.9 mt -57.22 -50.91 75.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 63.31 111.154 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.67 -51.22 63.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 71.32 111.09 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -57.4 -43.09 83.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 71.55 110.821 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.93 -52.79 64.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 74.32 110.896 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 50.0 mm -57.21 -48.32 82.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 74.24 111.05 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 38.1 mt -57.47 -46.62 85.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 70.44 111.169 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -60.86 -49.7 76.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 72.11 110.869 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.86 -29.97 71.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 63.32 110.916 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 51.11 111.137 179.836 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.891 0.377 . . . . 64.25 111.121 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 29.3 p -122.6 -174.08 2.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 73.21 110.917 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.5 m -109.69 83.08 2.53 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.715 0.769 . . . . 64.43 111.138 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -172.71 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.676 2.251 . . . . 74.41 112.355 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.415 HD21 ' OE1' ' A' ' 46' ' ' GLN . 7.1 tp -65.24 143.62 57.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 75.4 110.925 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.5 mt 66.05 51.01 1.36 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 72.31 110.933 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.4 m80 -145.3 165.17 29.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 61.34 110.844 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.43 109.35 3.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 64.55 110.866 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.0 p -110.27 9.56 23.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 71.42 110.928 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.57 -48.61 57.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 72.32 110.808 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -94.81 20.16 9.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 71.5 110.819 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -149.84 98.41 2.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 75.23 110.852 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 72.8 mtm180 -74.07 -74.12 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 74.2 110.93 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -104.02 24.45 11.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 71.22 110.88 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.7 m -89.71 -10.32 46.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 72.04 110.845 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.8 m -51.29 156.76 1.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.115 -0.493 . . . . 75.02 110.908 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.4 m -68.09 153.61 43.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 64.14 110.876 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.87 152.61 29.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 71.55 110.887 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -100.53 -173.83 29.65 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.715 -0.755 . . . . 54.45 112.561 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.13 -33.76 65.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.793 0.33 . . . . 73.41 110.877 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.6 mpt? -107.2 -52.41 2.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 73.11 110.879 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -143.58 165.98 26.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 75.1 110.819 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.13 159.53 33.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 74.21 110.843 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -86.05 166.17 16.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 74.21 110.906 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.6 p -117.23 148.66 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.068 -0.515 . . . . 75.02 111.085 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 31.0 t -96.29 116.29 28.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 72.13 110.878 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -95.75 154.47 17.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 75.21 110.842 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 72.1 m -139.98 138.2 35.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 71.32 110.877 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -145.5 177.06 9.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 74.22 110.93 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -143.87 153.61 57.66 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.675 0.75 . . . . 71.32 110.941 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 74.44 1.29 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.635 2.223 . . . . 62.13 112.328 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 56.89 24.22 9.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.279 -0.418 . . . . 62.33 110.779 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 173.22 127.34 0.97 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.716 -0.754 . . . . 63.23 112.402 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.05 -9.75 58.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.801 0.334 . . . . 64.2 110.856 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -86.33 4.95 36.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.128 -0.487 . . . . 73.21 110.864 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -104.15 -75.03 0.63 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 70.31 110.905 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 32.3 m -154.12 144.82 22.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 72.44 111.11 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -99.87 115.97 30.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 75.52 110.905 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.3 t -112.89 116.31 52.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 73.1 111.132 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 49.3 m -116.79 150.25 38.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 71.02 110.811 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.4 p -150.2 149.14 29.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 73.1 110.898 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 t -73.08 128.26 34.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 42.14 110.933 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -140.65 178.71 7.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.095 -0.502 . . . . 72.23 110.91 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.415 ' OE1' HD21 ' A' ' 7' ' ' LEU . 11.7 pm0 -95.54 146.96 32.25 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.592 0.71 . . . . 63.22 110.917 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 166.17 28.56 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.687 2.258 . . . . 73.1 112.3 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.04 -35.83 62.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 73.41 110.91 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.6 -52.2 64.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.288 -0.415 . . . . 71.41 110.939 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.3 -43.32 88.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 71.31 110.838 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt -58.44 -57.81 11.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 62.25 110.879 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 31.2 mt -53.1 -49.99 47.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.291 -0.413 . . . . 63.31 111.201 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.34 -53.48 44.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.084 -0.507 . . . . 71.32 111.022 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -55.44 -46.25 76.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 71.55 110.897 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.9 mtpp -56.95 -48.9 77.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 74.32 110.952 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 48.1 mt -58.03 -58.18 7.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 74.24 111.088 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 44.3 mm -51.66 -51.92 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 70.44 111.175 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -52.09 -49.93 62.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 72.11 110.9 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -58.19 -41.26 83.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 63.32 110.907 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 51.11 111.115 179.736 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.851 0.358 . . . . 64.25 111.049 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.37 -175.55 2.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 73.21 110.878 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 86.6 m -139.06 88.04 13.6 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.593 0.711 . . . . 64.43 111.097 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -172.61 0.59 Allowed 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.742 2.294 . . . . 74.41 112.331 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.3 tp -64.68 142.64 58.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 75.4 110.919 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.4 mt 66.09 53.16 1.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 72.31 110.927 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 6.6 m80 -143.66 167.49 22.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 61.34 110.892 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -74.21 120.79 20.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 64.55 110.849 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.9 p -132.81 6.23 3.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 71.42 110.84 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.6 t -58.09 -26.25 62.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 72.32 110.883 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -80.23 -20.06 45.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.088 -0.506 . . . . 71.5 110.846 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -164.29 120.85 1.61 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 75.23 110.818 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 66.2 mtp180 -85.09 -21.81 29.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 74.2 110.926 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -102.51 25.11 9.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 71.22 110.828 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 44.2 p -99.17 -30.97 11.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 72.04 110.893 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 54.3 m -52.11 133.21 33.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.13 -0.486 . . . . 75.02 110.873 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -52.71 171.89 0.05 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 64.14 110.849 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.72 167.92 19.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 71.55 110.82 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -113.86 164.43 12.06 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 54.45 112.481 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.82 -35.36 44.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.776 0.322 . . . . 73.41 110.852 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 7.1 mmt -118.54 -44.61 2.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.448 . . . . 73.11 110.919 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -144.56 142.35 30.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 75.1 110.869 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.72 157.75 0.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 74.21 110.944 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -75.73 163.98 26.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 74.21 110.97 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.9 p -116.0 148.94 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 75.02 111.141 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 47.5 t -99.95 112.58 24.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 72.13 110.912 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -91.39 152.77 20.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 75.21 110.833 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.8 m -135.03 151.17 50.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 71.32 110.904 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -145.14 155.46 43.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 74.22 110.9 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -126.71 77.82 73.62 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.705 0.764 . . . . 71.32 110.881 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 77.3 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.618 2.212 . . . . 62.13 112.303 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 65.75 30.22 10.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 62.33 110.947 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -169.32 76.28 0.11 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.769 -0.729 . . . . 63.23 112.495 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -92.77 -24.63 18.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.899 0.38 . . . . 64.2 110.862 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -108.59 26.19 10.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 73.21 110.878 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.1 ptpt -139.85 -49.62 0.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 70.31 110.926 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.6 m -161.91 115.8 1.87 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.296 -0.411 . . . . 72.44 111.121 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -96.21 131.92 42.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 75.52 110.818 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 13.0 t -95.83 112.21 27.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.117 -0.492 . . . . 73.1 111.096 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 44.2 m -117.45 150.5 38.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 71.02 110.911 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.9 p -148.89 154.24 39.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.193 -0.458 . . . . 73.1 110.848 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 t -73.75 129.59 38.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.081 -0.508 . . . . 42.14 110.868 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -143.52 173.43 11.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 72.23 110.908 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -95.28 147.15 32.56 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.622 0.725 . . . . 63.22 110.906 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 164.18 35.45 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.671 2.247 . . . . 73.1 112.32 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.63 -32.22 28.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 73.41 110.932 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.83 -58.32 5.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 71.41 110.848 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -57.13 -32.35 66.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.491 . . . . 71.31 110.813 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.05 -51.11 42.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 62.25 110.887 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 55.9 mt -60.62 -35.8 66.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 63.31 111.098 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.83 -55.26 13.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 71.32 111.111 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -59.89 -31.15 69.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 71.55 110.917 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -69.54 -58.83 3.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 74.32 110.919 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 46.7 mt -55.73 -45.59 79.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 74.24 111.206 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 39.4 mt -62.78 -48.58 87.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.073 -0.512 . . . . 70.44 111.137 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -57.37 -46.48 83.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.157 -0.474 . . . . 72.11 110.832 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.6 ttpp -61.84 -47.82 83.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 63.32 110.912 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 51.11 111.085 179.797 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.891 0.377 . . . . 64.25 111.033 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 30.5 p -103.86 -174.12 2.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 73.21 110.901 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.646 HG23 ' HB3' ' A' ' 9' ' ' HIS . 27.1 m -109.73 82.35 2.27 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.524 0.678 . . . . 64.43 111.074 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 -167.39 0.23 Allowed 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.693 2.262 . . . . 74.41 112.339 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.7 tp -62.26 140.72 58.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 75.4 110.93 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.1 mt 65.99 54.94 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 72.31 110.845 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.646 ' HB3' HG23 ' A' ' 5' ' ' THR . 13.6 m80 -146.77 166.1 27.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.28 -0.418 . . . . 61.34 110.846 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -73.87 121.22 20.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 64.55 110.821 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.0 p -133.01 6.57 3.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 71.42 110.886 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.1 t -57.75 -23.33 51.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 72.32 110.893 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -80.25 -20.28 44.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.499 . . . . 71.5 110.88 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -165.49 123.57 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 75.23 110.881 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -85.13 -15.53 43.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 74.2 110.855 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -110.01 20.01 18.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 71.22 110.864 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.3 p -100.08 -22.25 15.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 72.04 110.854 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 m -51.91 156.56 1.47 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 75.02 110.856 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 12.8 m -68.58 156.68 37.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 64.14 110.877 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -80.22 156.44 26.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 71.55 110.948 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -105.02 -173.8 24.41 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.816 -0.707 . . . . 54.45 112.496 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -76.37 -23.49 54.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.769 0.319 . . . . 73.41 110.914 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -126.05 -45.98 1.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 73.11 110.865 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -145.91 140.99 27.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 75.1 110.914 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -53.9 155.53 3.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 74.21 111.003 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -70.6 161.73 30.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.29 -0.414 . . . . 74.21 110.959 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.2 m -112.2 140.0 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 75.02 111.133 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 39.0 t -89.05 109.65 20.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 72.13 110.889 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -89.88 155.9 18.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.473 . . . . 75.21 110.805 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 68.8 m -136.81 138.56 40.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 71.32 110.897 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -145.41 -178.9 6.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 74.22 110.9 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -143.57 153.95 59.16 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.689 0.757 . . . . 71.32 110.898 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.69 74.47 1.26 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.687 2.258 . . . . 62.13 112.36 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 53.1 28.59 7.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 62.33 110.867 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 177.06 124.98 0.87 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.694 -0.765 . . . . 63.23 112.409 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.02 -15.91 61.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.824 0.345 . . . . 64.2 110.838 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -94.7 38.68 1.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 73.21 110.926 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -132.96 -74.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 70.31 110.868 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 30.2 m -157.0 135.95 11.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.452 . . . . 72.44 111.113 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -93.31 112.49 24.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 75.52 110.905 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.2 t -112.55 119.79 61.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 73.1 111.061 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 57.1 m -113.9 151.11 32.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 71.02 110.827 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.3 p -148.47 154.74 40.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.089 -0.505 . . . . 73.1 110.82 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 t -73.13 125.54 27.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.515 . . . . 42.14 110.853 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -140.75 172.08 13.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 72.23 110.979 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -95.57 147.41 32.97 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.572 0.701 . . . . 63.22 110.921 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 145.48 57.18 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.649 2.233 . . . . 73.1 112.382 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.01 -19.11 60.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 73.41 110.928 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.15 -55.83 10.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 71.41 110.865 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.77 -34.11 73.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 71.31 110.81 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.03 -54.9 26.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 62.25 110.844 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.47 HG22 ' CD1' ' A' ' 56' ' ' ILE . 66.1 mt -65.11 -44.01 95.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 63.31 111.064 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.03 -50.64 73.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 71.32 111.057 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -61.02 -47.35 86.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 71.55 110.905 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp -54.56 -52.18 62.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 74.32 110.842 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.47 ' CD1' HG22 ' A' ' 52' ' ' ILE . 29.4 mt -57.26 -53.53 42.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 74.24 111.139 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 47.9 mt -56.46 -41.96 73.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 70.44 111.099 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -59.01 -60.42 3.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 72.11 110.88 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -61.39 -25.48 67.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 63.32 110.91 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 51.11 111.101 179.834 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.869 0.366 . . . . 64.25 111.099 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m -132.7 161.73 33.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 73.21 110.879 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.591 HG23 ' HB3' ' A' ' 9' ' ' HIS . 96.8 m -116.57 81.0 10.89 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.542 0.687 . . . . 64.43 111.181 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -168.43 0.28 Allowed 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.638 2.225 . . . . 74.41 112.355 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.672 HD12 ' O ' ' A' ' 44' ' ' CYS . 19.8 tp -60.88 150.52 32.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 75.4 110.939 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.517 ' H ' HD12 ' A' ' 7' ' ' LEU . 26.0 mt 59.94 58.3 2.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.142 -0.481 . . . . 72.31 110.906 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.591 ' HB3' HG23 ' A' ' 5' ' ' THR . 6.3 m80 -145.6 167.75 22.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 61.34 110.855 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -77.35 118.7 20.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 64.55 110.843 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.9 p -132.14 6.53 4.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 71.42 110.856 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.5 t -61.0 -26.45 67.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.421 . . . . 72.32 110.891 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -79.84 -15.21 57.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 71.5 110.859 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -170.39 113.97 0.46 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.176 -0.465 . . . . 75.23 110.89 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.3 mtm180 -72.55 -14.52 61.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 74.2 110.832 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -107.37 24.45 12.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 71.22 110.832 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -87.22 -39.85 15.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 72.04 110.788 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 98.7 m -51.75 133.0 31.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 75.02 110.88 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 99.2 m -79.83 165.75 22.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 64.14 110.842 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -79.45 151.69 30.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 71.55 110.87 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -96.82 -159.32 31.59 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.756 -0.735 . . . . 54.45 112.53 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.57 -35.15 46.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.755 0.312 . . . . 73.41 110.867 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 43.7 mtt -99.91 -63.7 1.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 73.11 110.887 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -136.02 172.14 13.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 75.1 110.913 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -81.17 158.03 25.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.492 . . . . 74.21 110.93 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -88.47 164.28 15.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 74.21 110.899 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.1 p -119.15 149.79 21.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 75.02 111.151 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.5 t -95.18 113.06 24.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 72.13 110.867 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -90.34 153.5 20.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 75.21 110.871 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 93.7 m -138.96 138.56 37.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 71.32 110.871 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -145.34 175.7 10.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 74.22 110.906 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -143.89 153.6 57.6 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.666 0.746 . . . . 71.32 110.891 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 73.99 1.32 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.679 2.253 . . . . 62.13 112.352 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 56.63 24.35 8.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.48 . . . . 62.33 110.845 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 175.6 125.71 0.89 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.76 -0.733 . . . . 63.23 112.505 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -77.93 -7.04 56.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.867 0.365 . . . . 64.2 110.915 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -92.65 14.85 15.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 73.21 110.84 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -114.57 -74.62 0.61 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.256 -0.429 . . . . 70.31 110.865 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.5 m -151.35 140.57 21.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.212 -0.449 . . . . 72.44 111.11 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.58 114.32 27.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 75.52 110.859 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.6 t -112.08 116.55 52.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 73.1 111.19 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 59.7 m -116.67 150.61 37.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 71.02 110.909 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -150.28 153.54 36.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 73.1 110.917 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.672 ' O ' HD12 ' A' ' 7' ' ' LEU . 1.8 t -69.32 128.23 35.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 42.14 110.93 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -139.99 171.74 13.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 72.23 110.945 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -95.56 147.24 32.69 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.6 0.714 . . . . 63.22 110.923 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 166.11 28.7 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.684 2.256 . . . . 73.1 112.357 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.47 -36.82 62.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 73.41 110.933 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.7 -51.2 68.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 71.41 110.853 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -59.35 -40.24 85.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.101 -0.499 . . . . 71.31 110.871 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.14 -48.5 79.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 62.25 110.936 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.585 HG22 HD11 ' A' ' 56' ' ' ILE . 32.3 mm -62.47 -59.4 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 63.31 111.199 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.588 ' HA ' HD12 ' A' ' 56' ' ' ILE . . . -52.58 -35.71 54.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 71.32 111.078 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -65.8 -51.78 56.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 71.55 110.863 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.8 ptmt -61.31 -30.96 70.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 74.32 110.893 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.588 HD12 ' HA ' ' A' ' 53' ' ' ALA . 34.2 mt -70.58 -60.26 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 74.24 111.142 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 42.0 mm -55.89 -42.44 70.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.264 -0.425 . . . . 70.44 111.141 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -64.52 -53.12 53.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 72.11 110.891 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -60.71 -28.2 68.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 63.32 110.938 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 51.11 111.012 179.9 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.782 0.325 . . . . 64.25 111.1 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 30.5 p -121.1 -174.26 2.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 73.21 110.876 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.4 m -109.56 82.84 2.34 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.543 0.687 . . . . 64.43 111.139 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -171.47 0.47 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.635 2.223 . . . . 74.41 112.378 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.3 tp -65.42 142.06 58.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 75.4 110.875 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.6 mt 66.2 50.93 1.31 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 72.31 110.932 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.8 m80 -144.52 165.34 28.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 61.34 110.879 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.34 115.73 6.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.426 . . . . 64.55 110.853 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.1 p -119.28 8.2 11.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 71.42 110.878 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.67 -46.68 58.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 72.32 110.804 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 35.5 m170 -96.58 20.32 10.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 71.5 110.817 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -149.57 101.39 3.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 75.23 110.889 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 73.8 mtm180 -77.22 -69.74 0.51 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 74.2 110.854 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -106.67 26.2 10.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 71.22 110.908 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.94 -11.84 37.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 72.04 110.789 -179.714 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.7 m -51.64 156.64 1.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 75.02 110.952 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 13.0 m -68.32 151.37 47.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 64.14 110.818 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -80.27 152.02 29.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 71.55 110.901 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -99.88 -171.64 30.14 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.83 -0.7 . . . . 54.45 112.505 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -73.71 -35.13 65.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.737 0.303 . . . . 73.41 110.817 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -104.04 -51.44 3.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 73.11 110.935 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -145.83 172.47 13.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.463 . . . . 75.1 110.899 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.28 159.18 30.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 74.21 110.874 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -84.81 167.44 16.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 74.21 110.926 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.1 p -117.0 149.58 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 75.02 111.15 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 29.4 t -97.87 120.54 38.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 72.13 110.877 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.62 156.03 17.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 75.21 110.841 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 55.7 m -136.19 135.79 39.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 71.32 110.92 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -145.6 -175.85 4.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 74.22 110.899 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -144.19 153.08 55.89 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.643 0.735 . . . . 71.32 110.925 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 74.97 1.24 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.672 2.248 . . . . 62.13 112.31 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 59.25 23.52 11.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.423 . . . . 62.33 110.887 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 169.78 131.82 1.37 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.755 -0.736 . . . . 63.23 112.547 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -95.1 28.22 2.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.868 0.366 . . . . 64.2 110.888 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -110.32 25.4 11.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 73.21 110.841 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.55 -62.1 0.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 70.31 110.907 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.1 m -161.63 148.87 14.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 72.44 111.132 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -100.39 121.72 41.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.217 -0.447 . . . . 75.52 110.935 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 14.2 t -105.57 113.87 43.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 73.1 111.109 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 48.5 m -110.62 150.35 29.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 71.02 110.845 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.4 p -150.18 150.3 31.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 73.1 110.879 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 t -72.47 129.98 39.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 42.14 110.93 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -140.9 174.63 10.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 72.23 110.931 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -94.66 146.3 31.19 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.58 0.705 . . . . 63.22 110.944 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.85 168.09 22.66 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.671 2.247 . . . . 73.1 112.298 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.99 -41.0 82.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 73.41 110.902 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 51.4 p -63.5 -37.6 87.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 71.41 110.851 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -65.79 -56.58 11.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 71.31 110.892 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -57.93 -45.04 87.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 62.25 110.829 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 25.7 mm -64.56 -50.64 74.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 63.31 111.131 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.63 -51.09 61.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 71.32 111.09 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.99 -44.96 95.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 71.55 110.858 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.03 -50.12 67.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 74.32 110.88 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 43.0 mm -62.88 -54.28 35.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 74.24 111.117 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 30.9 mt -51.94 -41.33 30.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.451 . . . . 70.44 111.15 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -67.64 -43.75 79.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.186 -0.461 . . . . 72.11 110.896 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.83 -32.54 74.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 63.32 110.882 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.293 -0.412 . . . . 51.11 111.058 179.821 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.829 0.347 . . . . 64.25 111.058 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m -117.85 160.66 21.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 73.21 110.907 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.6 HG23 ' HB3' ' A' ' 9' ' ' HIS . 98.0 m -114.57 80.22 6.08 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.583 0.706 . . . . 64.43 111.152 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -168.34 0.27 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.679 2.253 . . . . 74.41 112.342 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.661 HD12 ' O ' ' A' ' 44' ' ' CYS . 20.1 tp -60.67 150.1 33.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 75.4 110.941 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.527 ' H ' HD12 ' A' ' 7' ' ' LEU . 26.5 mt 59.95 58.64 2.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 72.31 110.89 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.6 ' HB3' HG23 ' A' ' 5' ' ' THR . 6.2 m80 -144.96 167.56 22.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 61.34 110.895 179.766 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -78.0 119.44 21.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 64.55 110.855 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.9 p -133.07 6.43 3.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 71.42 110.815 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.9 t -59.73 -26.06 65.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 72.32 110.843 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -79.72 -19.83 47.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 71.5 110.878 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -165.87 116.0 1.02 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 75.23 110.883 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 31.8 mtm-85 -71.82 -19.95 61.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 74.2 110.9 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -102.02 24.64 9.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 71.22 110.844 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -84.58 -41.32 16.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.203 -0.453 . . . . 72.04 110.85 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 88.3 m -51.78 133.65 31.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 75.02 110.904 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 92.8 m -79.72 164.42 23.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 64.14 110.828 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -80.0 150.17 30.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 71.55 110.868 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -97.85 -164.77 31.48 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.702 -0.761 . . . . 54.45 112.459 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -79.94 -29.16 39.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.736 0.303 . . . . 73.41 110.837 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -105.18 -61.36 1.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 73.11 110.834 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -146.23 139.45 25.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 75.1 110.881 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.02 160.76 2.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 74.21 110.879 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -90.45 167.5 12.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 74.21 110.892 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.7 p -121.71 148.43 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.088 -0.506 . . . . 75.02 111.097 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.5 t -91.9 112.69 24.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 72.13 110.873 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -90.43 154.9 19.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 75.21 110.853 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 87.1 m -140.0 139.77 36.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 71.32 110.918 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -145.27 175.41 10.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 74.22 110.866 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -144.38 153.96 56.34 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.684 0.754 . . . . 71.32 110.917 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 75.08 1.23 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.669 2.246 . . . . 62.13 112.351 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 55.71 26.93 9.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.244 -0.434 . . . . 62.33 110.92 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 169.54 132.45 1.45 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.736 -0.745 . . . . 63.23 112.464 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -80.99 -1.02 42.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.796 0.332 . . . . 64.2 110.879 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -96.74 25.39 5.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.177 -0.465 . . . . 73.21 110.859 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.8 mptt -127.79 -75.17 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 70.31 110.893 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.1 m -151.63 139.86 20.31 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.227 -0.442 . . . . 72.44 111.037 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.02 111.41 23.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 75.52 110.901 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 20.0 t -108.05 118.55 55.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 73.1 111.071 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 62.6 m -119.0 148.48 42.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 71.02 110.89 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.4 p -150.35 154.39 37.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 73.1 110.901 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.661 ' O ' HD12 ' A' ' 7' ' ' LEU . 1.8 t -69.28 127.49 33.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 42.14 110.872 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -140.81 171.41 14.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 72.23 110.932 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -95.22 145.16 29.05 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.589 0.709 . . . . 63.22 110.969 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.65 144.41 54.52 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.696 2.264 . . . . 73.1 112.366 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.467 ' HE2' HD11 ' A' ' 52' ' ' ILE . 0.1 OUTLIER -59.84 -19.66 52.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 73.41 110.871 179.888 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.26 -58.9 3.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 71.41 110.852 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -35.54 80.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 71.31 110.94 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.0 mtpt -63.7 -62.68 1.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 62.25 110.904 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.467 HD11 ' HE2' ' A' ' 48' ' ' LYS . 50.6 mt -56.27 -52.35 52.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.246 -0.434 . . . . 63.31 111.122 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.73 -44.44 66.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.487 . . . . 71.32 111.151 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -65.59 -34.74 78.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 71.55 110.899 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.25 -33.8 67.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 74.32 110.888 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 97.3 mt -72.21 -47.44 53.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 74.24 111.123 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 49.6 mm -68.34 -41.52 83.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 70.44 111.13 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -66.41 -52.09 50.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.091 -0.504 . . . . 72.11 110.876 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.62 -40.34 94.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 63.32 110.824 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.276 -0.42 . . . . 51.11 111.112 179.887 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.854 0.359 . . . . 64.25 111.084 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.9 p -95.7 -173.91 3.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 73.21 110.901 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.659 HG23 ' HB3' ' A' ' 9' ' ' HIS . 30.7 m -110.23 80.71 1.98 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.564 0.697 . . . . 64.43 111.038 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -166.76 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.672 2.248 . . . . 74.41 112.339 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 15.1 tp -62.48 137.96 58.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 75.4 110.894 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.8 mt 66.85 56.2 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 72.31 110.919 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.659 ' HB3' HG23 ' A' ' 5' ' ' THR . 8.2 m80 -145.12 168.42 20.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 61.34 110.874 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -79.76 121.09 24.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 64.55 110.907 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.4 p -123.88 8.71 8.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.284 -0.416 . . . . 71.42 110.872 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.6 t -58.3 -29.02 65.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 72.32 110.893 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 20.7 m-70 -79.59 -20.48 46.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 71.5 110.82 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -162.75 114.46 1.55 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 75.23 110.933 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.1 mtm180 -85.23 -4.81 59.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 74.2 110.867 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.4 m170 -120.77 17.66 11.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 71.22 110.817 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.4 m -100.36 -20.46 15.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 72.04 110.962 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 m -51.77 141.92 16.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.049 -0.523 . . . . 75.02 110.868 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -70.55 176.34 4.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 64.14 110.917 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.6 ttp180 -80.09 177.86 8.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 71.55 110.846 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -119.92 -175.48 15.73 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.815 -0.707 . . . . 54.45 112.459 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -71.35 -34.4 70.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.805 0.335 . . . . 73.41 110.87 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.5 mmt -119.42 -38.78 2.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 73.11 110.95 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -145.72 150.29 35.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 75.1 110.875 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -52.64 155.07 2.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 74.21 110.881 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -78.47 160.42 27.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 74.21 110.874 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.0 p -121.98 149.32 25.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.082 -0.508 . . . . 75.02 111.143 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 35.1 t -96.4 108.32 20.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 72.13 110.921 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -102.13 139.36 37.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.436 . . . . 75.21 110.876 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 57.4 m -123.16 128.06 49.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 71.32 110.883 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -145.75 149.86 35.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 74.22 110.906 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -84.2 153.12 62.57 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.672 0.749 . . . . 71.32 110.887 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 71.13 1.52 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.689 2.259 . . . . 62.13 112.364 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 50.87 29.7 4.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 62.33 110.886 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.66 145.09 4.44 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.677 -0.773 . . . . 63.23 112.47 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -83.93 70.21 10.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.871 0.367 . . . . 64.2 110.886 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.71 -72.09 0.19 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 73.21 110.906 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.55 -48.07 1.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 70.31 110.871 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.441 HG22 ' H ' ' A' ' 40' ' ' GLU . 0.4 OUTLIER -161.0 167.88 25.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 72.44 111.164 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.441 ' H ' HG22 ' A' ' 39' ' ' THR . 19.8 pt-20 -91.18 150.0 21.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 75.52 110.868 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 26.2 t -95.82 127.18 48.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 73.1 111.097 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 81.5 m -96.31 132.87 41.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 71.02 110.805 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.5 p -140.27 157.71 45.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 73.1 110.885 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.6 t -80.31 121.18 25.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 42.14 110.909 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -130.44 -177.62 4.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 72.23 110.907 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.09 154.92 40.54 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.592 0.71 . . . . 63.22 110.981 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 173.9 10.34 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.711 2.274 . . . . 73.1 112.323 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.31 -22.64 53.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 73.41 110.93 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.2 -56.21 4.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 71.41 110.837 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.96 -30.12 68.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 71.31 110.851 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.75 -55.12 8.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 62.25 110.836 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 77.9 mt -62.22 -44.02 98.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 63.31 111.116 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.67 -52.59 63.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 71.32 111.085 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -57.89 -40.34 80.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 71.55 110.836 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -60.63 -56.53 20.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 74.32 110.91 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 39.6 mm -55.03 -56.31 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 74.24 111.144 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 40.2 mm -53.89 -46.53 64.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 70.44 111.165 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -56.25 -53.83 52.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 72.11 110.877 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.1 ttmt -64.92 -23.44 67.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 63.32 110.872 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.421 . . . . 51.11 111.127 179.818 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.786 0.327 . . . . 64.25 111.086 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.2 m -100.48 161.8 13.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 73.21 110.875 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.609 HG23 ' HB3' ' A' ' 9' ' ' HIS . 97.6 m -114.88 80.09 6.4 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.63 0.729 . . . . 64.43 111.136 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -169.97 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.652 2.235 . . . . 74.41 112.318 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.698 HD12 ' O ' ' A' ' 44' ' ' CYS . 25.2 tp -59.03 150.76 23.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 75.4 110.938 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.432 ' H ' HD12 ' A' ' 7' ' ' LEU . 27.6 mt 59.9 59.87 2.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 72.31 110.882 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.609 ' HB3' HG23 ' A' ' 5' ' ' THR . 6.0 m80 -145.32 168.35 20.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 61.34 110.815 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -78.59 118.01 20.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 64.55 110.857 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.5 p -126.83 1.39 6.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 71.42 110.875 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.4 t -57.6 -28.85 64.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 72.32 110.803 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 46.8 m170 -80.24 -20.24 45.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 71.5 110.821 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -160.7 120.17 2.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.423 . . . . 75.23 110.877 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 74.6 mtm180 -78.22 -19.39 53.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.458 . . . . 74.2 110.85 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.2 m-70 -108.16 26.75 10.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 71.22 110.855 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.2 p -84.38 -41.25 16.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 72.04 110.798 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 91.7 m -52.06 132.78 33.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 75.02 110.916 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 71.8 m -80.38 161.12 25.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 64.14 110.899 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.6 ttp180 -80.1 152.87 29.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.46 . . . . 71.55 110.911 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -114.07 140.39 16.3 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.79 -0.719 . . . . 54.45 112.505 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.75 -26.96 15.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.8 0.333 . . . . 73.41 110.862 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 51.1 mtm -103.01 -50.86 3.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 73.11 110.934 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -148.07 145.13 28.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 75.1 110.855 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -90.09 142.17 27.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 74.21 110.89 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -91.13 137.09 32.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 74.21 110.936 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.48 HG22 ' HD3' ' A' ' 47' ' ' PRO . 1.5 m -117.42 150.81 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 75.02 111.096 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 34.5 t -77.1 126.31 30.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 72.13 110.897 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -119.79 127.77 53.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 75.21 110.876 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 76.2 m -107.35 140.77 39.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 71.32 110.905 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -145.96 176.96 9.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.462 . . . . 74.22 110.945 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -138.25 151.94 70.57 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.674 0.75 . . . . 71.32 110.949 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.73 -0.79 7.39 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.695 2.264 . . . . 62.13 112.392 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 76.06 34.0 0.55 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 62.33 110.943 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -164.06 -34.62 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 63.23 112.486 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -101.8 79.18 1.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.818 0.342 . . . . 64.2 110.811 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -67.85 -10.59 54.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 73.21 110.823 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -98.96 19.77 14.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 70.31 110.921 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -159.75 104.08 1.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 72.44 111.201 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.8 135.6 40.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 75.52 110.908 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.7 t -106.38 115.14 47.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 73.1 111.102 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 34.3 m -108.67 141.28 40.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 71.02 110.908 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 74.8 p -149.01 157.39 43.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 73.1 110.917 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.698 ' O ' HD12 ' A' ' 7' ' ' LEU . 1.7 t -68.92 121.17 16.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 42.14 110.901 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -142.99 169.4 17.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 72.23 110.959 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -87.07 146.02 39.5 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.631 0.729 . . . . 63.22 110.87 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.48 ' HD3' HG22 ' A' ' 27' ' ' VAL . 54.1 Cg_endo -69.74 145.7 58.08 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.681 2.254 . . . . 73.1 112.384 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.24 -30.44 50.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.421 . . . . 73.41 110.836 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.01 -56.92 11.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.286 -0.415 . . . . 71.41 110.853 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 56.7 m170 -62.89 -30.81 71.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 71.31 110.915 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -64.52 -58.94 4.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 62.25 110.914 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.627 HG22 HD11 ' A' ' 56' ' ' ILE . 62.7 mt -60.15 -45.15 96.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 63.31 111.173 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.54 -52.35 63.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 71.32 111.127 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.92 -46.55 88.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 71.55 110.903 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.8 mmtm -55.89 -50.69 69.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 74.32 110.926 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.627 HD11 HG22 ' A' ' 52' ' ' ILE . 27.0 mt -58.25 -55.01 24.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 74.24 111.119 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 38.2 mt -52.28 -51.57 31.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.46 . . . . 70.44 111.119 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -58.35 -47.36 84.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.221 -0.445 . . . . 72.11 110.877 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -60.48 -32.08 71.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 63.32 110.9 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 51.11 111.119 179.813 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.826 0.346 . . . . 64.25 111.103 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.6 p -147.44 -174.08 4.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 73.21 110.869 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.9 m -109.43 83.26 2.44 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.549 0.69 . . . . 64.43 111.175 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -170.79 0.41 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.658 2.239 . . . . 74.41 112.351 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.1 tp -64.84 141.95 58.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 75.4 110.955 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.5 mt 65.81 52.02 1.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 72.31 110.932 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.5 m80 -144.85 165.64 27.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 61.34 110.8 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -67.51 103.77 1.41 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 64.55 110.808 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.8 p -104.59 5.25 33.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 71.42 110.931 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.0 t -50.44 -47.3 56.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 72.32 110.85 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -96.04 18.89 12.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 71.5 110.889 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -150.05 94.84 2.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 75.23 110.89 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.6 mtp85 -76.29 -70.46 0.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 74.2 110.85 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -102.08 25.51 8.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 71.22 110.83 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -97.03 -11.9 23.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.315 -0.402 . . . . 72.04 110.846 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.7 m -51.04 151.7 2.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.068 -0.515 . . . . 75.02 110.925 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 20.0 m -64.96 158.02 26.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 64.14 110.875 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -79.98 153.62 28.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 71.55 110.879 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -99.24 -175.7 31.6 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.715 -0.755 . . . . 54.45 112.453 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.96 -24.58 59.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.825 0.345 . . . . 73.41 110.843 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.4 -45.46 1.66 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 73.11 110.899 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -135.87 164.04 28.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 75.1 110.824 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.77 142.23 37.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.496 . . . . 74.21 110.906 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -70.42 145.54 50.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 74.21 110.925 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.4 p -106.97 150.14 9.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.09 -0.504 . . . . 75.02 111.141 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 28.9 t -91.6 125.09 36.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 72.13 110.848 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -107.99 119.83 40.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.481 . . . . 75.21 110.885 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 14.9 m -102.49 143.06 32.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 71.32 110.858 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -145.53 166.53 25.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 74.22 110.842 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -144.05 154.95 58.75 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.758 0.79 . . . . 71.32 110.88 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 74.4 1.32 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.684 2.256 . . . . 62.13 112.287 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 54.65 26.52 7.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 62.33 110.873 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 171.71 142.15 3.61 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.674 -0.774 . . . . 63.23 112.412 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -91.09 14.19 14.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.836 0.35 . . . . 64.2 110.849 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.1 34.12 4.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 73.21 110.815 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -138.51 -75.05 0.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 70.31 110.897 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.1 m -152.08 139.15 19.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.244 -0.435 . . . . 72.44 111.141 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -97.12 108.66 21.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 75.52 110.863 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 14.7 t -107.89 113.47 43.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 73.1 111.129 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 17.5 m -118.72 152.85 35.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 71.02 110.853 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.3 p -149.91 142.37 24.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 73.1 110.835 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 t -68.58 134.22 49.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.082 -0.508 . . . . 42.14 110.895 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -141.39 -179.32 6.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 72.23 110.884 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -95.08 145.39 29.45 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.574 0.702 . . . . 63.22 110.958 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 168.18 22.31 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.683 2.255 . . . . 73.1 112.317 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -52.8 -30.37 32.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 73.41 110.853 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.68 -61.09 2.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.287 -0.415 . . . . 71.41 110.853 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -54.65 -38.0 66.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.081 -0.509 . . . . 71.31 110.816 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -63.5 -65.32 0.7 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.325 -0.398 . . . . 62.25 110.866 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 40.5 mm -54.53 -51.24 51.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 63.31 111.157 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.49 -51.83 51.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 71.32 111.098 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.58 -46.75 80.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 71.55 110.898 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.58 -49.99 69.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 74.32 110.886 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 49.6 mm -59.78 -58.31 7.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 74.24 111.118 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 46.1 mm -53.61 -36.14 27.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 70.44 111.123 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -65.34 -49.23 70.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 72.11 110.899 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.39 -37.64 86.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 63.32 110.918 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 51.11 111.054 179.871 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.854 0.359 . . . . 64.25 111.097 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 32.1 p -107.06 -174.16 2.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 73.21 110.897 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.693 HG23 ' HB3' ' A' ' 9' ' ' HIS . 32.4 m -109.79 82.1 2.23 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.562 0.696 . . . . 64.43 111.163 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 -168.84 0.29 Allowed 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 122.655 2.237 . . . . 74.41 112.343 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.4 tp -60.85 141.48 57.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 75.4 110.888 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.7 mt 66.65 56.84 0.71 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 72.31 110.95 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.693 ' HB3' HG23 ' A' ' 5' ' ' THR . 14.2 m80 -147.19 165.94 28.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 61.34 110.851 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -77.11 119.8 21.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.186 -0.461 . . . . 64.55 110.848 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.8 p -133.29 5.6 3.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 71.42 110.881 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.01 -37.63 64.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 72.32 110.866 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -79.3 -20.48 47.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 71.5 110.865 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -154.35 106.66 2.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 75.23 110.861 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.4 mtp180 -84.74 -26.87 27.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 74.2 110.935 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -93.7 16.81 13.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 71.22 110.8 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 85.4 p -100.52 -19.09 16.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 72.04 110.863 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.7 m -51.59 154.94 1.72 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.087 -0.506 . . . . 75.02 110.879 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 10.5 m -69.63 153.42 43.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 64.14 110.913 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.53 170.2 15.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 71.55 110.905 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -116.48 -178.81 18.05 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.706 -0.759 . . . . 54.45 112.543 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.96 -34.63 76.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.776 0.322 . . . . 73.41 110.917 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -123.0 -36.4 2.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 73.11 110.86 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -145.61 138.09 25.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 75.1 110.88 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt -53.19 162.18 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 74.21 110.892 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -75.17 175.32 8.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 74.21 110.889 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.7 p -130.77 148.48 33.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 75.02 111.154 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.8 t -97.97 112.35 24.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 72.13 110.888 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -91.87 123.94 35.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 75.21 110.893 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 38.5 m -104.76 152.43 22.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 71.32 110.864 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -145.24 148.49 33.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 74.22 110.817 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -118.35 77.44 13.42 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.705 0.764 . . . . 71.32 110.926 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 76.42 1.11 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.709 2.272 . . . . 62.13 112.375 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 65.38 30.55 10.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 62.33 110.924 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -164.66 72.58 0.18 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 63.23 112.488 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -69.08 -61.39 1.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.885 0.374 . . . . 64.2 110.882 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -95.44 22.09 7.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.488 . . . . 73.21 110.808 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.7 mttp -117.22 -53.16 2.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 70.31 110.879 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -159.81 103.71 1.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 72.44 111.16 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -88.39 125.51 34.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 75.52 110.852 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 15.1 t -101.97 114.25 40.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.151 -0.477 . . . . 73.1 111.124 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 24.1 m -119.36 152.57 36.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 71.02 110.872 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.7 p -150.01 149.61 30.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 73.1 110.888 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 t -68.78 126.18 28.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 42.14 110.967 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -136.61 169.78 17.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 72.23 110.941 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -88.11 134.47 34.89 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.611 0.719 . . . . 63.22 110.883 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 145.07 55.87 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.647 2.231 . . . . 73.1 112.359 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -59.36 -19.66 48.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 73.41 110.85 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.29 -61.94 1.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 71.41 110.823 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.83 -36.41 83.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.185 -0.462 . . . . 71.31 110.885 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -63.6 1.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 62.25 110.871 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 40.4 mm -58.24 -30.07 38.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 63.31 111.092 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.38 -60.97 2.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 71.32 111.097 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.51 -29.39 69.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 71.55 110.864 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.7 mptt -65.76 -51.63 57.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.175 -0.466 . . . . 74.32 110.902 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 50.5 mt -64.88 -52.17 57.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 74.24 111.185 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 40.6 mm -54.74 -45.56 73.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.106 -0.497 . . . . 70.44 111.144 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -62.96 -57.77 9.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 72.11 110.888 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.43 -27.18 46.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 63.32 110.895 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 51.11 111.074 179.839 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.805 0.336 . . . . 64.25 111.131 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m -93.9 156.11 16.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 73.21 110.861 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.559 HG23 ' HB3' ' A' ' 9' ' ' HIS . 93.3 m -114.73 79.55 5.83 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.607 0.718 . . . . 64.43 111.108 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -170.6 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.692 2.262 . . . . 74.41 112.359 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.7 tp -59.96 149.0 33.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 75.4 110.962 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.7 mt 65.78 55.13 1.0 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.235 -0.439 . . . . 72.31 110.935 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.559 ' HB3' HG23 ' A' ' 5' ' ' THR . 12.8 m80 -145.63 165.93 27.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 61.34 110.889 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -80.0 114.24 18.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 64.55 110.923 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.0 p -120.64 8.34 10.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 71.42 110.909 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.8 t -59.65 -26.2 65.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 72.32 110.869 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 21.3 m-70 -79.89 -20.09 46.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 71.5 110.878 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -162.96 122.23 2.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 75.23 110.851 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.33 -13.56 58.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 74.2 110.921 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -116.17 28.21 8.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 71.22 110.921 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.7 p -92.42 -35.63 13.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 72.04 110.853 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 63.3 m -51.46 133.01 30.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 75.02 110.825 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 55.1 m -80.22 177.14 9.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 64.14 110.885 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.8 ttp180 -73.66 153.24 40.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 71.55 110.83 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -96.59 -161.77 32.45 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.773 -0.727 . . . . 54.45 112.456 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -80.02 -34.75 38.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.372 . . . . 73.41 110.89 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 46.9 mtt -118.31 -40.49 2.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 73.11 110.915 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -144.17 155.0 43.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 75.1 110.889 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.86 158.18 33.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 74.21 110.909 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -89.89 162.24 15.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 74.21 110.938 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.1 p -128.9 149.65 33.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.479 . . . . 75.02 111.124 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.6 t -88.38 122.15 31.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 72.13 110.889 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -119.69 138.11 53.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 75.21 110.898 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 33.5 m -118.23 134.22 55.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 71.32 110.952 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -145.26 -177.23 5.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 74.22 110.863 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.438 ' HB3' ' HD2' ' A' ' 33' ' ' PRO . 1.5 m-85 -110.59 157.16 39.12 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.674 0.75 . . . . 71.32 110.956 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.438 ' HD2' ' HB3' ' A' ' 32' ' ' TYR . 54.5 Cg_endo -69.72 -2.47 10.2 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.707 2.271 . . . . 62.13 112.396 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 75.69 31.53 0.73 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 62.33 110.9 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -178.48 -57.9 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.732 -0.747 . . . . 63.23 112.49 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -99.94 70.6 1.61 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.859 0.362 . . . . 64.2 110.869 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -76.52 60.14 1.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 73.21 110.855 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.2 mttt -100.3 -17.08 17.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 70.31 110.885 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -159.88 106.79 1.64 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 72.44 111.129 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -51.69 124.86 13.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 75.52 110.906 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 22.1 t -95.07 120.2 44.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.494 . . . . 73.1 111.157 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 62.6 m -102.87 132.59 48.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 71.02 110.86 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 p -139.02 155.74 47.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 73.1 110.877 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 t -73.75 116.32 14.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 42.14 110.852 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -118.56 177.77 4.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 72.23 110.845 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -87.89 156.8 52.3 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.615 0.721 . . . . 63.22 110.83 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 172.48 12.55 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.699 2.266 . . . . 73.1 112.351 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -58.67 -21.68 54.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 73.41 110.934 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 16.1 m -75.82 -53.54 8.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 71.41 110.823 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -64.05 -34.45 78.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 71.31 110.881 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.33 -58.59 3.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 62.25 110.905 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 27.1 mm -55.9 -47.02 80.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 63.31 111.13 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.28 -49.76 75.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 71.32 111.081 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -51.89 -51.07 59.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.428 . . . . 71.55 110.864 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.19 -55.42 35.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 74.32 110.899 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 31.5 mm -52.37 -53.58 18.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 74.24 111.095 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 37.8 mm -58.49 -49.87 80.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 70.44 111.116 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -53.56 -53.49 50.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 72.11 110.902 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -63.78 -32.37 73.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 63.32 110.886 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.424 . . . . 51.11 111.105 179.817 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.833 0.349 . . . . 70.14 111.105 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -118.01 -47.98 2.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 74.11 110.88 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.93 179.32 1.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 64.25 111.079 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 29.9 p -109.03 -174.13 2.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 73.21 110.917 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.663 HG23 ' HB3' ' A' ' 9' ' ' HIS . 30.9 m -109.81 82.23 2.28 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.594 0.711 . . . . 64.43 111.19 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -168.61 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.728 2.285 . . . . 74.41 112.332 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.5 tp -61.39 142.18 57.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 75.4 110.937 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.2 mt 66.34 56.18 0.8 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 72.31 110.962 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.663 ' HB3' HG23 ' A' ' 5' ' ' THR . 13.9 m80 -146.49 166.97 24.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 61.34 110.843 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -77.87 113.36 15.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 64.55 110.823 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.1 p -125.84 8.5 7.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 71.42 110.901 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.4 t -56.83 -27.37 59.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 72.32 110.89 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -80.12 -20.4 45.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 71.5 110.87 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -162.77 119.01 1.87 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 75.23 110.891 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.0 mtm-85 -85.03 -20.66 30.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 74.2 110.881 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.3 m170 -103.95 19.41 20.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 71.22 110.861 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.9 m -100.11 -21.18 15.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 72.04 110.852 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.7 m -51.35 157.6 0.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 75.02 110.917 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.9 m -66.14 155.64 36.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 64.14 110.854 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.6 ttt85 -80.14 161.66 25.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 71.55 110.835 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -114.05 -177.64 19.18 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.754 -0.736 . . . . 54.45 112.494 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.31 -34.58 65.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.811 0.339 . . . . 73.41 110.888 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 5.1 mtt -107.94 -46.16 3.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 73.11 110.868 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -146.89 175.69 10.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 75.1 110.908 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.0 145.96 29.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 74.21 110.878 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -57.32 166.56 1.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 74.21 110.94 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -117.67 136.52 54.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 75.02 111.113 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.4 t -92.09 114.13 26.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 72.13 110.908 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -92.46 149.59 21.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 75.21 110.868 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 35.4 m -131.75 151.4 51.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 71.32 110.902 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -145.06 148.1 33.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 74.22 110.94 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -121.8 77.37 39.01 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.665 0.745 . . . . 71.32 110.955 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 76.81 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.725 2.284 . . . . 62.13 112.344 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 65.71 30.52 10.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 62.33 110.878 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -164.68 70.2 0.2 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.764 -0.731 . . . . 63.23 112.504 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -79.13 -40.9 29.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 64.2 110.849 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -100.08 14.23 31.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 73.21 110.882 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.53 -61.02 1.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 70.31 110.911 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -160.31 107.19 1.57 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 72.44 111.12 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.55 129.6 34.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.453 . . . . 75.52 110.899 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.9 t -96.44 115.33 35.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 73.1 111.14 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 39.1 m -118.76 153.24 34.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 71.02 110.902 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.8 p -150.09 152.23 34.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 73.1 110.851 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 2.2 t -72.11 129.95 39.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 42.14 110.885 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -140.83 167.02 23.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 72.23 110.972 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -95.2 145.76 30.1 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.563 0.697 . . . . 63.22 110.909 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 169.82 18.03 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.661 2.241 . . . . 73.1 112.363 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.64 -33.35 71.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 73.41 110.889 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.7 m -64.61 -53.67 44.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.437 . . . . 71.41 110.855 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.92 -46.42 89.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 71.31 110.894 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -61.7 2.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.445 . . . . 62.25 110.929 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 35.8 mt -51.27 -46.81 33.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 63.31 111.155 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.41 -59.13 4.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 71.32 111.121 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.1 -48.43 64.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 71.55 110.877 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.9 mmtt -51.07 -55.1 19.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 74.32 110.922 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 42.4 mm -57.52 -51.18 73.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 74.24 111.123 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 43.9 mt -52.66 -56.88 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 70.44 111.134 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -56.52 -44.86 81.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 72.11 110.898 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.5 ttmt -56.45 -58.66 7.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 63.32 110.881 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.23 -48.74 70.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 51.11 111.082 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.9 tptt -52.28 -47.45 65.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 73.32 110.906 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 13.3 m -74.93 -18.25 60.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 74.35 111.189 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.3 m -84.93 -23.97 28.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 72.3 111.142 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 15.9 mt . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 75.53 110.91 179.947 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.126 0 CA-C-O 120.925 0.393 . . . . 70.14 111.086 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.27 110.93 23.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 74.11 110.899 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -158.35 166.95 31.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 64.25 111.119 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m -101.61 161.27 13.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.295 -0.411 . . . . 73.21 110.932 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.59 HG23 ' HB3' ' A' ' 9' ' ' HIS . 97.8 m -116.3 80.77 10.05 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.58 0.705 . . . . 64.43 111.178 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -168.84 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.638 2.225 . . . . 74.41 112.375 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.675 HD12 ' O ' ' A' ' 44' ' ' CYS . 20.2 tp -60.54 150.41 31.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 75.4 110.9 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.511 ' H ' HD12 ' A' ' 7' ' ' LEU . 26.1 mt 59.91 58.44 2.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 72.31 110.989 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.59 ' HB3' HG23 ' A' ' 5' ' ' THR . 6.4 m80 -145.49 168.16 21.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 61.34 110.838 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.56 116.47 18.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 64.55 110.914 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.8 p -129.37 4.82 5.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 71.42 110.84 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 t -60.12 -24.4 64.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 72.32 110.86 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -79.7 -18.09 52.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 71.5 110.877 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -167.6 115.31 0.76 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 75.23 110.824 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.5 mtm180 -70.82 -13.06 61.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 74.2 110.86 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -110.43 25.24 11.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 71.22 110.875 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.7 m -86.27 -38.35 17.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 72.04 110.824 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 98.7 m -54.9 132.61 46.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 75.02 110.84 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 85.0 m -79.56 164.63 23.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 64.14 110.841 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 49.0 ttt85 -79.9 156.69 27.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 71.55 110.87 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -104.69 -159.98 23.84 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.717 -0.754 . . . . 54.45 112.502 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -77.49 -33.24 54.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.768 0.318 . . . . 73.41 110.851 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 17.2 mtt -100.18 -67.98 0.83 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 73.11 110.851 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -133.62 172.15 13.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 75.1 110.874 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -84.29 145.96 28.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 74.21 110.907 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -74.02 166.14 23.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 74.21 110.888 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.0 p -122.65 149.31 26.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 75.02 111.126 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 50.4 t -94.28 114.43 26.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 72.13 110.874 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -92.61 149.19 21.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 75.21 110.856 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 63.4 m -133.07 139.68 47.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 71.32 110.89 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -145.39 172.76 12.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 74.22 110.885 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -143.65 152.8 57.19 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.69 0.757 . . . . 71.32 110.952 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 73.95 1.3 Allowed 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.722 2.282 . . . . 62.13 112.34 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 55.47 25.55 7.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 62.33 110.916 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 174.7 120.88 0.61 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.752 -0.737 . . . . 63.23 112.503 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.7 pt-20 -74.23 -8.57 56.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.844 0.354 . . . . 64.2 110.959 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.01 10.63 23.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 73.21 110.819 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -110.18 -75.08 0.63 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.256 -0.429 . . . . 70.31 110.848 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.3 m -150.79 139.0 20.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 72.44 111.126 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.45 113.16 25.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 75.52 110.88 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.6 t -113.48 115.97 51.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 73.1 111.086 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 57.9 m -114.49 152.74 31.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 71.02 110.852 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 p -150.46 151.15 32.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 73.1 110.856 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.675 ' O ' HD12 ' A' ' 7' ' ' LEU . 1.8 t -67.99 127.89 34.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 42.14 110.856 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -140.47 170.93 14.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 72.23 110.935 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -95.26 146.51 31.45 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.59 0.709 . . . . 63.22 110.95 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 168.85 20.31 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.71 2.273 . . . . 73.1 112.35 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.06 -29.13 60.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 73.41 110.977 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.2 p -68.27 -55.44 12.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 71.41 110.907 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.78 -41.34 86.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 71.31 110.867 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -63.05 1.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 62.25 110.891 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 50.5 mt -54.23 -50.57 55.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 63.31 111.114 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.43 -54.08 36.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 71.32 111.116 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -55.82 -42.12 75.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 71.55 110.858 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -58.52 -51.9 67.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 74.32 110.887 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 49.3 mm -58.27 -58.14 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 74.24 111.102 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 50.5 mm -52.62 -40.74 35.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 70.44 111.155 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -60.38 -63.51 1.28 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 72.11 110.912 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.87 -25.66 61.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 63.32 110.894 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.1 -63.31 1.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 51.11 111.098 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -25.58 68.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 73.32 110.913 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 95.6 m -74.97 -24.96 58.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 74.35 111.141 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 87.3 m -93.78 -48.26 6.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 72.3 111.19 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.1 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 75.53 110.964 179.957 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.825 0.345 . . . . 70.14 111.111 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.29 -48.98 8.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 74.11 110.921 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.44 156.3 32.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 64.25 111.038 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.4 m -144.8 160.23 41.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 73.21 110.926 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.539 HG23 ' HB3' ' A' ' 9' ' ' HIS . 98.2 m -118.74 81.21 18.36 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.568 0.699 . . . . 64.43 111.103 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -172.88 0.62 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.659 2.24 . . . . 74.41 112.347 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.0 tp -59.04 146.34 38.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 75.4 110.97 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.0 mt 65.9 57.61 0.8 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.239 -0.437 . . . . 72.31 110.888 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.539 ' HB3' HG23 ' A' ' 5' ' ' THR . 12.8 m80 -146.68 170.69 16.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 61.34 110.866 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.79 123.16 27.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.26 -0.427 . . . . 64.55 110.9 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 22.0 p -132.17 5.44 4.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 71.42 110.903 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.58 -25.37 66.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.155 -0.475 . . . . 72.32 110.839 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 -79.72 -18.51 51.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.482 . . . . 71.5 110.887 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -167.33 123.39 1.12 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 75.23 110.881 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 48.7 mtm180 -78.2 -17.73 56.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 74.2 110.854 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 -109.68 35.39 3.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 71.22 110.856 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -97.47 -35.94 10.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 72.04 110.891 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 68.4 m -53.68 131.79 39.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.064 -0.516 . . . . 75.02 110.79 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 65.6 m -80.65 167.57 19.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 64.14 110.938 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -80.1 152.56 29.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.291 -0.413 . . . . 71.55 110.82 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -105.8 -176.31 23.86 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.784 -0.722 . . . . 54.45 112.479 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.83 -24.79 41.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.795 0.331 . . . . 73.41 110.928 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.3 mtt -108.99 -52.42 2.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 73.11 110.809 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -146.64 158.21 43.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 75.1 110.821 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.66 145.62 28.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 74.21 110.891 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -90.01 147.11 23.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 74.21 110.929 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.564 HG22 ' H ' ' A' ' 28' ' ' CYS . 0.6 OUTLIER -118.76 176.66 3.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 75.02 111.154 179.875 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.564 ' H ' HG22 ' A' ' 27' ' ' VAL . 12.3 t -100.3 116.08 31.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 72.13 110.857 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -103.08 113.82 27.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 75.21 110.858 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 94.3 m -100.77 137.76 38.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 71.32 110.92 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -145.25 178.98 7.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.466 . . . . 74.22 110.846 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -143.46 153.97 59.56 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.76 0.791 . . . . 71.32 110.902 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 74.05 1.32 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.686 2.257 . . . . 62.13 112.327 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 54.75 26.63 7.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 62.33 110.843 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 177.07 124.24 0.83 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.709 -0.758 . . . . 63.23 112.476 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -75.07 -10.42 59.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.844 0.354 . . . . 64.2 110.873 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.0 27.71 3.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 73.21 110.876 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.3 mttm -124.01 -74.8 0.6 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 70.31 110.872 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 89.7 m -154.12 140.24 18.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.254 -0.43 . . . . 72.44 111.213 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -96.46 116.12 28.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.273 -0.421 . . . . 75.52 110.942 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 18.2 t -114.58 117.73 56.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 73.1 111.157 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.1 m -117.43 139.64 50.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 71.02 110.84 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.0 p -145.59 155.53 43.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.129 -0.487 . . . . 73.1 110.801 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 2.3 t -68.01 116.26 8.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.498 . . . . 42.14 110.891 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -143.62 173.78 11.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 72.23 110.895 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -87.0 143.04 34.41 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.586 0.707 . . . . 63.22 110.89 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 148.7 65.78 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.625 2.217 . . . . 73.1 112.343 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.15 -28.94 56.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 73.41 110.892 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.74 -51.73 52.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 71.41 110.801 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 49.9 m170 -64.02 -41.6 97.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 71.31 110.843 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.8 mmtp -59.83 -58.51 8.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 62.25 110.918 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 38.8 mt -55.49 -48.5 77.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 63.31 111.166 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.72 -57.88 8.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 71.32 111.054 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.01 -44.03 70.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 71.55 110.917 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.3 mmmt -54.29 -53.36 54.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 74.32 110.914 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 49.4 mm -58.25 -56.81 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 74.24 111.13 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 49.8 mm -51.58 -55.33 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 70.44 111.076 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -51.99 -45.39 64.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 72.11 110.859 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.2 ttmm -65.41 -33.72 76.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 63.32 110.898 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.55 -48.33 72.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 51.11 111.132 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -72.0 -30.45 65.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 73.32 110.912 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 96.0 m -74.98 -25.25 58.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 74.35 111.159 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 96.1 m -85.49 -39.23 17.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 72.3 111.172 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.3 mt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 75.53 110.913 179.972 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.853 0.358 . . . . 70.14 111.116 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.44 108.5 16.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 74.11 110.897 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -72.6 127.33 32.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 64.25 111.095 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.48 -175.47 3.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 73.21 110.868 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 92.2 m -138.86 87.55 14.4 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.577 0.703 . . . . 64.43 111.146 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.83 -171.97 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.63 2.22 . . . . 74.41 112.353 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.3 tp -64.89 141.33 58.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.268 -0.423 . . . . 75.4 110.91 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.2 mt 66.25 53.31 1.04 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 72.31 110.903 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -143.59 167.29 22.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 61.34 110.949 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -71.01 119.76 15.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.223 -0.444 . . . . 64.55 110.862 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.0 p -128.79 2.13 5.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.431 . . . . 71.42 110.871 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.2 t -58.1 -27.87 64.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 72.32 110.915 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -79.93 -20.36 45.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 71.5 110.886 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -161.54 115.99 1.98 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 75.23 110.89 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 50.7 mtm180 -84.98 -9.61 57.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 74.2 110.906 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -118.4 24.58 10.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 71.22 110.871 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -100.0 -26.83 13.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 72.04 110.878 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 48.6 m -51.89 131.96 31.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.49 . . . . 75.02 110.933 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -52.93 171.99 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 64.14 110.895 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.1 ttp180 -80.75 166.02 21.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 71.55 110.94 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -111.87 161.67 12.67 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.724 -0.751 . . . . 54.45 112.471 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.36 -35.31 37.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 73.41 110.892 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.7 mtt -117.14 -45.15 2.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 73.11 110.863 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -146.03 142.77 28.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 75.1 110.889 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.38 156.67 1.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 74.21 110.882 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -77.86 163.31 26.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 74.21 110.94 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.0 p -115.56 149.03 17.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.07 -0.514 . . . . 75.02 111.174 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 51.6 t -97.49 112.4 24.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 72.13 110.892 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -93.88 122.69 36.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 75.21 110.807 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.6 m -107.09 150.23 26.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 71.32 110.971 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -141.72 153.58 44.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 74.22 110.887 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -125.31 77.62 68.01 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.644 0.735 . . . . 71.32 110.937 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 75.9 1.15 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.729 2.286 . . . . 62.13 112.356 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 65.04 30.67 11.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.302 -0.408 . . . . 62.33 110.841 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -167.29 76.82 0.12 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.778 -0.725 . . . . 63.23 112.503 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -96.41 21.21 9.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.829 0.347 . . . . 64.2 110.914 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -110.16 -57.23 2.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.111 -0.495 . . . . 73.21 110.84 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.66 22.3 2.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 70.31 110.933 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -138.98 55.37 1.71 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 72.44 111.152 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -90.59 121.5 32.57 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.277 -0.419 . . . . 75.52 110.854 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 14.3 t -104.99 113.28 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 73.1 111.128 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 18.8 m -119.08 153.39 34.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 71.02 110.867 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.4 p -148.89 151.0 33.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 73.1 110.865 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 t -73.69 128.82 36.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 42.14 110.931 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -140.67 175.07 9.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 72.23 110.943 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -95.71 146.76 31.88 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.609 0.719 . . . . 63.22 110.889 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 171.0 15.25 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.661 2.241 . . . . 73.1 112.29 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.62 -28.23 65.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 73.41 110.861 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.0 m -68.84 -55.4 11.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 71.41 110.926 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -60.62 -39.05 86.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 71.31 110.895 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.1 mmtp -64.86 -64.31 0.9 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.156 -0.474 . . . . 62.25 110.882 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 54.5 mt -53.36 -42.74 49.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 63.31 111.142 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.18 -58.84 6.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 71.32 111.089 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -54.2 -37.42 64.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 71.55 110.897 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -62.17 -54.98 33.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 74.32 110.933 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 50.9 mt -55.87 -51.66 57.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 74.24 111.137 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 47.3 mm -57.38 -56.12 16.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.457 . . . . 70.44 111.145 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -51.95 -48.96 64.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.175 -0.466 . . . . 72.11 110.815 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -60.72 -35.93 77.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.192 -0.458 . . . . 63.32 110.813 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.37 -50.66 66.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 51.11 111.104 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.4 mtpp -61.82 -47.61 84.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 73.32 110.919 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.5 m 64.12 16.03 9.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 74.35 111.12 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 26.4 m -86.71 -24.88 25.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 72.3 111.159 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.3 mt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 75.53 110.901 179.944 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.864 0.364 . . . . 70.14 111.095 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.1 tttt 53.58 38.19 27.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 74.11 110.887 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -88.12 31.15 0.81 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 64.25 111.035 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.2 m -127.83 161.12 29.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.423 . . . . 73.21 110.855 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.679 HG23 ' HB3' ' A' ' 9' ' ' HIS . 94.4 m -113.14 78.87 3.36 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.643 0.735 . . . . 64.43 111.138 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -169.04 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.746 2.297 . . . . 74.41 112.335 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.625 HD12 ' O ' ' A' ' 44' ' ' CYS . 20.0 tp -58.22 150.43 21.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 75.4 110.953 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.537 ' H ' HD12 ' A' ' 7' ' ' LEU . 27.9 mt 59.73 61.03 2.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.215 -0.448 . . . . 72.31 110.898 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.679 ' HB3' HG23 ' A' ' 5' ' ' THR . 5.6 m80 -144.86 168.08 21.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 61.34 110.888 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -77.59 119.22 20.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 64.55 110.932 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.9 p -130.14 3.27 4.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.419 . . . . 71.42 110.884 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.78 -39.45 71.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 72.32 110.918 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -80.79 -14.99 57.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 71.5 110.899 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -158.0 112.99 2.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 75.23 110.877 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -84.35 -18.94 34.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 74.2 110.867 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -107.52 24.75 12.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 71.22 110.811 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.2 p -87.07 -37.16 17.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 72.04 110.844 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 97.4 m -52.22 131.68 32.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 75.02 110.872 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 62.7 m -80.04 158.18 26.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 64.14 110.838 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -59.35 171.4 0.79 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 71.55 110.831 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -113.06 -154.87 11.72 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.669 -0.777 . . . . 54.45 112.452 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -79.51 -34.49 41.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.836 0.35 . . . . 73.41 110.912 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -120.11 -47.71 2.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.489 . . . . 73.11 110.863 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -131.91 163.02 29.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 75.1 110.811 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -83.72 145.36 28.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 74.21 110.918 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -72.23 165.65 24.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 74.21 110.925 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.7 p -125.93 148.91 30.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 75.02 111.079 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.2 t -93.34 118.32 31.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 72.13 110.915 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -96.07 155.6 16.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 75.21 110.863 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 85.3 m -138.29 138.37 38.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 71.32 110.817 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -145.32 172.83 12.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 74.22 110.837 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -140.47 153.92 68.92 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.642 0.734 . . . . 71.32 110.915 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 74.0 1.33 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.7 2.267 . . . . 62.13 112.322 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 56.52 24.5 8.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 62.33 110.861 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 174.69 124.66 0.81 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.727 -0.749 . . . . 63.23 112.477 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.5 pm0 -76.56 -7.47 55.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.88 0.371 . . . . 64.2 110.886 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -90.86 12.31 19.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 73.21 110.912 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.6 mmtp -112.28 -73.5 0.67 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 70.31 110.854 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.4 m -153.94 141.94 20.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.285 -0.416 . . . . 72.44 111.166 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -100.05 116.51 32.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 75.52 110.899 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 17.1 t -114.01 117.05 54.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 73.1 111.14 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 61.5 m -115.98 149.44 38.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 71.02 110.871 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.2 p -150.32 152.06 33.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 73.1 110.872 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.625 ' O ' HD12 ' A' ' 7' ' ' LEU . 1.8 t -67.59 128.17 35.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.088 -0.505 . . . . 42.14 110.88 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -140.97 169.28 17.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 72.23 110.948 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -95.2 146.79 31.94 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.647 0.736 . . . . 63.22 110.872 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 173.99 10.13 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.65 2.234 . . . . 73.1 112.388 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.2 -28.62 66.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 73.41 110.967 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.35 -58.88 3.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 71.41 110.845 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.57 -38.42 77.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 71.31 110.846 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.56 -62.93 1.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 62.25 110.851 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 49.8 mt -54.46 -48.15 69.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 63.31 111.114 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.12 -55.38 24.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 71.32 111.109 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -55.34 -43.52 75.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 71.55 110.917 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -55.83 -52.35 64.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 74.32 110.879 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 47.2 mm -58.77 -57.25 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 74.24 111.107 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 43.8 mm -52.1 -34.17 17.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 70.44 111.165 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -68.18 -59.94 2.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 72.11 110.899 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.5 mtmt -58.66 -25.29 62.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 63.32 110.919 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.0 -58.16 3.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 51.11 111.054 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.3 pttt -64.15 -27.6 69.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 73.32 110.974 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 95.6 m -75.53 -30.32 59.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 74.35 111.184 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 95.1 m -88.11 -27.28 22.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 72.3 111.095 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.0 mt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.277 -0.42 . . . . 75.53 110.915 179.939 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.878 0.37 . . . . 70.14 111.085 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.3 143.94 27.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 74.11 110.849 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.72 113.82 5.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 64.25 111.105 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.7 p -101.05 -174.49 2.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.421 . . . . 73.21 110.854 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 57.2 m -110.52 80.79 2.14 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.614 0.721 . . . . 64.43 111.15 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -168.84 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.69 2.26 . . . . 74.41 112.328 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.0 tp -65.08 136.43 56.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 75.4 110.89 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.1 mt 66.18 53.1 1.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 72.31 110.937 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.2 m80 -143.49 167.5 22.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 61.34 110.862 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -66.01 117.62 8.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 64.55 110.84 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.6 p -119.93 5.18 10.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 71.42 110.922 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.7 t -54.13 -45.7 72.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 72.32 110.825 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -96.06 15.82 19.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 71.5 110.883 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -154.53 101.4 2.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 75.23 110.884 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 -85.22 -68.04 0.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 74.2 110.841 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -94.58 26.86 3.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 71.22 110.909 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.25 -16.19 17.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 72.04 110.864 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.2 m -50.54 142.45 10.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 75.02 110.88 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -66.23 174.36 2.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 64.14 110.87 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.34 168.04 20.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 71.55 110.842 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -113.3 -150.62 10.68 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.72 -0.752 . . . . 54.45 112.495 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.62 -34.72 40.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.843 0.354 . . . . 73.41 110.894 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 5.1 mmt -127.25 -40.86 1.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 73.11 110.893 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -132.53 176.75 8.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 75.1 110.864 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -82.08 145.73 30.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 74.21 110.916 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -72.66 158.17 36.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.294 -0.412 . . . . 74.21 110.909 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.7 p -115.87 147.99 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 75.02 111.164 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 33.5 t -89.74 128.06 36.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 72.13 110.903 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -116.18 128.09 55.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 75.21 110.922 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 62.8 m -109.36 143.81 38.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 71.32 110.852 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -145.13 152.57 40.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 74.22 110.924 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -131.0 154.73 82.11 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.636 0.732 . . . . 71.32 110.951 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 74.54 1.29 Allowed 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.646 2.231 . . . . 62.13 112.342 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 57.05 23.9 8.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 62.33 110.898 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 165.02 149.19 5.74 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.699 -0.762 . . . . 63.23 112.471 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.5 pm0 -95.87 28.58 3.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.867 0.365 . . . . 64.2 110.943 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -110.16 15.99 22.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.119 -0.491 . . . . 73.21 110.876 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -128.2 -75.11 0.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 70.31 110.935 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.4 m -155.1 138.25 15.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 72.44 111.144 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.85 114.16 27.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 75.52 110.913 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 20.7 t -106.0 118.97 54.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 73.1 111.12 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.7 m -121.05 148.58 43.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 71.02 110.874 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.8 p -149.98 151.4 33.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 73.1 110.9 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 t -74.61 128.06 34.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 42.14 110.861 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -136.99 -176.82 4.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 72.23 110.891 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -95.13 145.18 29.07 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.589 0.709 . . . . 63.22 110.954 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 170.7 15.93 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.702 2.268 . . . . 73.1 112.373 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.35 -30.02 62.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 73.41 110.977 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.95 -56.85 8.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 71.41 110.854 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -57.89 -42.95 85.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 71.31 110.957 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.3 mttt -60.06 -61.16 2.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 62.25 110.934 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 42.5 mt -56.08 -45.81 80.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 63.31 111.149 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.58 -55.26 34.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.1 -0.5 . . . . 71.32 111.099 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -55.83 -44.0 77.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 71.55 110.919 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.1 mmtt -57.28 -46.55 83.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 74.32 110.835 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 37.3 mt -62.42 -55.39 24.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 74.24 111.055 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 43.7 mm -53.11 -41.79 43.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 70.44 111.154 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -62.31 -56.75 15.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 72.11 110.808 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.63 -25.54 66.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 63.32 110.971 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.15 -51.14 22.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 51.11 111.06 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -72.46 -25.73 61.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.279 -0.419 . . . . 73.32 110.91 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 90.6 m -76.31 -27.3 56.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 74.35 111.165 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 89.1 m -98.38 -25.33 14.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 72.3 111.138 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.3 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 75.53 110.949 179.982 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.828 0.347 . . . . 70.14 111.09 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 15.8 mtpt -97.99 -33.01 11.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.261 -0.427 . . . . 74.11 110.866 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.5 136.71 40.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 64.25 111.051 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 29.6 p -100.02 -174.16 2.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 73.21 110.818 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.1 m -109.6 82.98 2.42 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.569 0.7 . . . . 64.43 111.113 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -69.87 -172.06 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.647 2.231 . . . . 74.41 112.262 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.3 tp -65.37 143.24 57.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 75.4 110.888 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.5 mt 65.41 51.26 1.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 72.31 110.897 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.2 m80 -145.49 165.58 28.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 61.34 110.814 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -66.25 111.69 3.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 64.55 110.885 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.2 p -113.93 6.52 16.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 71.42 110.916 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.42 -48.47 56.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.098 -0.501 . . . . 72.32 110.904 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -94.28 18.35 11.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.076 -0.511 . . . . 71.5 110.869 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -150.3 98.22 2.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 75.23 110.846 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.5 mtm-85 -76.25 -74.51 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 74.2 110.925 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -100.95 28.4 5.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 71.22 110.83 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -96.18 -10.84 27.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 72.04 110.869 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.3 m -51.3 156.67 1.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 75.02 110.869 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.9 m -67.32 153.95 42.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 64.14 110.862 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -79.92 152.46 29.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 71.55 110.919 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -100.22 -171.33 29.67 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.759 -0.734 . . . . 54.45 112.513 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -77.08 -26.68 53.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.807 0.337 . . . . 73.41 110.868 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.8 mmt -118.48 -49.64 2.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.429 . . . . 73.11 110.924 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -146.33 142.27 28.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 75.1 110.865 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.94 164.33 0.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.49 . . . . 74.21 110.949 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -89.18 162.18 16.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 74.21 110.998 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.7 p -114.99 148.77 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 75.02 111.14 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 29.5 t -93.62 123.63 37.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 72.13 110.881 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -108.22 127.84 54.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.221 -0.445 . . . . 75.21 110.94 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 51.9 m -109.73 141.91 41.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 71.32 110.887 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -145.5 172.72 12.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 74.22 110.864 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -144.13 153.96 57.22 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.705 0.764 . . . . 71.32 110.916 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 74.33 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.746 2.297 . . . . 62.13 112.311 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 56.69 24.44 8.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 62.33 110.921 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 174.52 127.71 1.03 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.72 -0.753 . . . . 63.23 112.472 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -77.46 -5.74 51.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.833 0.349 . . . . 64.2 110.849 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.92 24.22 5.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 73.21 110.901 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.0 mttm -123.54 -74.76 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 70.31 110.881 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.5 m -151.55 132.61 14.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.247 -0.433 . . . . 72.44 111.155 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -91.87 111.06 22.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 75.52 110.92 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.1 t -112.82 115.07 48.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 73.1 111.067 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 16.6 m -116.14 152.14 34.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 71.02 110.919 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.3 p -150.07 146.08 26.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 73.1 110.942 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 t -70.83 131.18 43.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 42.14 110.839 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -143.34 177.83 8.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 72.23 110.869 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -95.3 146.51 31.44 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.601 0.715 . . . . 63.22 110.858 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 166.73 26.61 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.664 2.243 . . . . 73.1 112.369 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.5 -28.3 44.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 73.41 110.877 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.5 m -69.08 -57.26 5.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 71.41 110.844 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.14 -37.71 75.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 71.31 110.814 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt -65.36 -61.4 2.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 62.25 110.845 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 38.0 mt -55.73 -51.02 63.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 63.31 111.142 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.28 -50.96 66.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 71.32 111.068 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -57.86 -40.62 80.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.977 0.417 . . . . 71.55 110.91 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.74 -45.78 92.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.077 -0.51 . . . . 74.32 110.948 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 57.3 mt -61.95 -55.45 24.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 74.24 111.195 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 50.4 mm -55.54 -43.61 73.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 70.44 111.111 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.37 -47.87 80.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 72.11 110.934 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.55 -43.4 97.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 63.32 110.93 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.2 -58.77 4.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 51.11 111.117 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.2 -52.51 61.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 73.32 110.947 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.3 m 62.69 17.1 9.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 74.35 111.188 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 87.0 m -96.78 -33.95 11.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 72.3 111.162 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.3 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 75.53 110.912 179.927 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.812 0.339 . . . . 70.14 111.153 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.27 139.95 23.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 74.11 110.925 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.41 131.86 42.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 64.25 111.127 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m -98.22 163.09 12.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 73.21 110.889 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.564 HG23 ' HB3' ' A' ' 9' ' ' HIS . 98.6 m -120.36 82.09 31.23 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.525 0.679 . . . . 64.43 111.137 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.83 -170.56 0.4 Allowed 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.625 2.217 . . . . 74.41 112.367 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.9 tp -61.2 147.34 44.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 75.4 110.875 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.8 mt 64.8 56.26 1.14 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 72.31 110.919 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.564 ' HB3' HG23 ' A' ' 5' ' ' THR . 10.9 m80 -145.25 167.69 22.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 61.34 110.859 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -76.27 120.59 21.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 64.55 110.847 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.2 p -130.27 3.45 4.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 71.42 110.901 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.4 t -60.79 -24.49 65.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 72.32 110.816 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -79.73 -19.58 48.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.074 -0.512 . . . . 71.5 110.814 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -166.06 124.49 1.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 75.23 110.852 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.7 mtt180 -78.88 -16.33 57.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 74.2 110.853 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -108.79 27.84 9.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.487 . . . . 71.22 110.851 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.7 m -89.21 -40.06 13.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 72.04 110.864 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 83.5 m -52.52 131.63 34.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 75.02 110.909 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 50.5 m -80.5 170.05 16.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 64.14 110.867 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -80.2 157.16 26.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 71.55 110.883 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -116.4 148.46 18.88 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.742 -0.742 . . . . 54.45 112.531 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -51.74 -29.88 20.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.755 0.312 . . . . 73.41 110.855 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 17.1 mtm -100.62 -57.0 2.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 73.11 110.94 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -145.71 156.19 43.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 75.1 110.88 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.3 ttpt -84.75 143.51 29.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 74.21 110.879 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -90.54 148.27 22.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 74.21 110.923 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.568 HG22 ' H ' ' A' ' 28' ' ' CYS . 0.6 OUTLIER -120.2 176.4 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 75.02 111.163 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.568 ' H ' HG22 ' A' ' 27' ' ' VAL . 9.9 t -100.72 115.43 30.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 72.13 110.919 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.65 117.84 35.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 75.21 110.86 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 64.3 m -99.84 154.04 18.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 71.32 110.893 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -143.13 143.31 31.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 74.22 110.898 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -115.13 77.52 5.23 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.671 0.748 . . . . 71.32 110.945 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 76.59 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.689 2.259 . . . . 62.13 112.364 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 65.62 30.49 10.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 62.33 110.897 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -164.75 72.51 0.18 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.726 -0.75 . . . . 63.23 112.496 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -65.72 -62.34 1.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.881 0.372 . . . . 64.2 110.898 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.93 27.57 4.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.498 . . . . 73.21 110.823 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -122.66 -52.47 1.91 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.266 -0.425 . . . . 70.31 110.935 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -159.39 105.57 1.69 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 72.44 111.133 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -100.1 136.31 40.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 75.52 110.826 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.4 t -109.65 118.9 57.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 73.1 111.113 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 34.3 m -119.28 137.02 53.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 71.02 110.86 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.7 p -141.95 158.56 43.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 73.1 110.868 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 2.0 t -69.87 114.91 8.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 42.14 110.853 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -145.11 -179.92 6.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 72.23 110.888 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -89.23 141.67 29.34 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.552 0.692 . . . . 63.22 110.89 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 151.48 68.82 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.671 2.247 . . . . 73.1 112.327 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.68 -25.17 38.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 73.41 110.914 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.59 -53.15 24.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 71.41 110.872 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -66.29 -32.87 74.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.493 . . . . 71.31 110.869 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.667 ' HE2' HD13 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -69.81 -47.07 64.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 62.25 110.888 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.667 HD13 ' HE2' ' A' ' 51' ' ' LYS . 16.6 mm -63.47 -46.74 94.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 63.31 111.124 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.5 -53.34 57.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 71.32 111.103 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.92 -44.94 74.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 71.55 110.887 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.3 mptt -58.95 -52.43 65.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 74.32 110.925 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 22.8 mt -55.12 -57.83 6.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 74.24 111.116 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 43.4 mm -52.5 -51.55 33.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 70.44 111.133 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -52.37 -49.74 63.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 72.11 110.889 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.1 tptm -65.13 -31.29 72.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 63.32 110.887 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.54 -51.43 62.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 51.11 111.154 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 32.0 mmtt -72.45 -30.96 65.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 73.32 110.902 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 93.8 m -75.03 -24.89 58.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 74.35 111.098 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 95.7 m -95.02 -28.42 15.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.238 -0.437 . . . . 72.3 111.107 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 70.6 mt . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 75.53 110.895 179.97 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.865 0.364 . . . . 70.14 111.103 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.65 9.03 33.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 74.11 110.919 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -88.04 29.48 0.93 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 64.25 111.093 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.9 p -129.4 -174.11 3.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 73.21 110.906 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 26.3 m -109.19 84.0 2.62 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.618 0.723 . . . . 64.43 111.152 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -169.85 0.36 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.737 2.291 . . . . 74.41 112.267 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.487 HD12 ' H ' ' A' ' 8' ' ' LEU . 21.4 tp -65.7 146.28 54.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 75.4 110.929 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.487 ' H ' HD12 ' A' ' 7' ' ' LEU . 25.5 mt 59.19 52.91 5.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 72.31 110.917 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 6.6 m80 -144.13 166.21 25.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 61.34 110.897 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -65.14 106.55 1.32 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.292 -0.413 . . . . 64.55 110.831 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.7 p -107.1 2.53 25.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 71.42 110.948 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.8 t -51.6 -46.31 63.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 72.32 110.883 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 41.7 m-70 -94.01 13.29 23.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 71.5 110.826 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.406 ' HB3' ' HB2' ' A' ' 17' ' ' SER . 0.0 OUTLIER -154.8 92.72 1.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 75.23 110.925 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 70.3 mtm180 -75.76 -74.94 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 74.2 110.831 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -93.87 25.38 3.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 71.22 110.81 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.406 ' HB2' ' HB3' ' A' ' 14' ' ' ASP . 1.6 m -100.34 -8.64 23.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 72.04 110.835 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.4 m -50.79 157.43 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 75.02 110.886 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 17.4 m -66.89 152.77 45.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 64.14 110.882 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.1 ttp85 -79.83 149.55 30.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 71.55 110.912 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -98.8 -172.27 31.69 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.803 -0.713 . . . . 54.45 112.448 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -75.52 -29.2 59.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.829 0.347 . . . . 73.41 110.815 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -112.8 -52.44 2.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 73.11 110.829 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -145.98 147.86 32.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 75.1 110.835 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.3 pttt -52.41 166.51 0.18 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.093 -0.503 . . . . 74.21 110.871 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -89.68 159.23 17.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 74.21 110.938 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -115.42 138.82 44.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 75.02 111.14 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.1 t -87.38 132.95 33.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 72.13 110.935 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -119.83 131.33 55.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 75.21 110.897 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 25.2 m -108.33 153.9 22.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 71.32 110.874 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -145.14 160.28 41.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 74.22 110.896 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -132.74 78.97 65.28 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.686 0.755 . . . . 71.32 110.942 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 77.67 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.707 2.271 . . . . 62.13 112.355 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 63.04 30.89 16.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.3 -0.409 . . . . 62.33 110.881 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -164.44 65.39 0.23 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.783 -0.722 . . . . 63.23 112.544 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.1 -42.07 48.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.891 0.377 . . . . 64.2 110.875 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -95.56 14.19 23.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 73.21 110.897 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.93 -63.88 1.39 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 70.31 110.875 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -160.41 102.62 1.39 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 72.44 111.173 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.73 136.68 40.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 75.52 110.813 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.3 t -103.69 115.85 46.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 73.1 111.137 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 18.9 m -117.3 148.81 41.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 71.02 110.88 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.5 p -150.02 147.57 27.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 73.1 110.842 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.454 ' O ' HD12 ' A' ' 7' ' ' LEU . 1.8 t -70.67 132.9 46.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 42.14 110.957 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -140.19 173.7 11.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 72.23 110.896 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -94.98 144.89 28.56 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.686 0.755 . . . . 63.22 110.892 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.72 171.08 15.08 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.677 2.252 . . . . 73.1 112.413 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.09 -30.05 65.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.231 -0.441 . . . . 73.41 110.902 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.7 t -67.5 -55.87 11.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 71.41 110.795 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.24 -40.72 86.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 71.31 110.86 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.5 mtpt -61.96 -59.62 4.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 62.25 110.878 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 44.9 mt -57.22 -50.91 75.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 63.31 111.154 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.67 -51.22 63.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 71.32 111.09 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -57.4 -43.09 83.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 71.55 110.821 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.93 -52.79 64.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 74.32 110.896 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 50.0 mm -57.21 -48.32 82.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 74.24 111.05 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 38.1 mt -57.47 -46.62 85.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 70.44 111.169 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -60.86 -49.7 76.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 72.11 110.869 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.86 -29.97 71.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 63.32 110.916 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.48 -57.04 5.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 51.11 111.137 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.6 mtpt -66.91 -51.69 52.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 73.32 110.797 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.1 m 62.95 16.48 9.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.421 . . . . 74.35 111.176 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.8 m -96.4 -32.95 12.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.452 . . . . 72.3 111.126 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 22.8 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 75.53 110.893 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.798 0.332 . . . . 70.14 111.126 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt 52.7 36.61 21.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.414 . . . . 74.11 110.921 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -88.14 32.98 0.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 64.25 111.121 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 29.3 p -122.6 -174.08 2.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 73.21 110.917 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.5 m -109.69 83.08 2.53 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.715 0.769 . . . . 64.43 111.138 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -172.71 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.676 2.251 . . . . 74.41 112.355 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.415 HD21 ' OE1' ' A' ' 46' ' ' GLN . 7.1 tp -65.24 143.62 57.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 75.4 110.925 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.5 mt 66.05 51.01 1.36 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 72.31 110.933 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.4 m80 -145.3 165.17 29.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 61.34 110.844 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.43 109.35 3.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 64.55 110.866 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.0 p -110.27 9.56 23.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 71.42 110.928 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.57 -48.61 57.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 72.32 110.808 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -94.81 20.16 9.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 71.5 110.819 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -149.84 98.41 2.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 75.23 110.852 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 72.8 mtm180 -74.07 -74.12 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 74.2 110.93 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -104.02 24.45 11.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 71.22 110.88 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.7 m -89.71 -10.32 46.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 72.04 110.845 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.8 m -51.29 156.76 1.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.115 -0.493 . . . . 75.02 110.908 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.4 m -68.09 153.61 43.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 64.14 110.876 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.87 152.61 29.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 71.55 110.887 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -100.53 -173.83 29.65 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.715 -0.755 . . . . 54.45 112.561 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.13 -33.76 65.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.793 0.33 . . . . 73.41 110.877 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.6 mpt? -107.2 -52.41 2.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 73.11 110.879 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -143.58 165.98 26.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 75.1 110.819 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.13 159.53 33.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 74.21 110.843 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -86.05 166.17 16.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 74.21 110.906 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.6 p -117.23 148.66 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.068 -0.515 . . . . 75.02 111.085 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 31.0 t -96.29 116.29 28.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 72.13 110.878 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -95.75 154.47 17.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 75.21 110.842 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 72.1 m -139.98 138.2 35.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 71.32 110.877 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -145.5 177.06 9.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 74.22 110.93 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -143.87 153.61 57.66 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.675 0.75 . . . . 71.32 110.941 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 74.44 1.29 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.635 2.223 . . . . 62.13 112.328 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 56.89 24.22 9.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.279 -0.418 . . . . 62.33 110.779 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 173.22 127.34 0.97 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.716 -0.754 . . . . 63.23 112.402 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.05 -9.75 58.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.801 0.334 . . . . 64.2 110.856 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -86.33 4.95 36.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.128 -0.487 . . . . 73.21 110.864 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -104.15 -75.03 0.63 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 70.31 110.905 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 32.3 m -154.12 144.82 22.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 72.44 111.11 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -99.87 115.97 30.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 75.52 110.905 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.3 t -112.89 116.31 52.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 73.1 111.132 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 49.3 m -116.79 150.25 38.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 71.02 110.811 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.4 p -150.2 149.14 29.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 73.1 110.898 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 t -73.08 128.26 34.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 42.14 110.933 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -140.65 178.71 7.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.095 -0.502 . . . . 72.23 110.91 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.415 ' OE1' HD21 ' A' ' 7' ' ' LEU . 11.7 pm0 -95.54 146.96 32.25 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.592 0.71 . . . . 63.22 110.917 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 166.17 28.56 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.687 2.258 . . . . 73.1 112.3 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.04 -35.83 62.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 73.41 110.91 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.6 -52.2 64.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.288 -0.415 . . . . 71.41 110.939 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.3 -43.32 88.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 71.31 110.838 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt -58.44 -57.81 11.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 62.25 110.879 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 31.2 mt -53.1 -49.99 47.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.291 -0.413 . . . . 63.31 111.201 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.34 -53.48 44.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.084 -0.507 . . . . 71.32 111.022 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -55.44 -46.25 76.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 71.55 110.897 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.9 mtpp -56.95 -48.9 77.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 74.32 110.952 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 48.1 mt -58.03 -58.18 7.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 74.24 111.088 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 44.3 mm -51.66 -51.92 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 70.44 111.175 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -52.09 -49.93 62.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 72.11 110.9 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -58.19 -41.26 83.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 63.32 110.907 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.13 -49.09 79.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 51.11 111.115 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 30.5 mmtt -60.8 -45.82 92.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 73.32 110.887 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.2 m 64.47 15.96 9.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.288 -0.415 . . . . 74.35 111.143 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.7 m -89.85 -19.96 24.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 72.3 111.114 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 34.4 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 75.53 110.85 -179.963 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.861 0.362 . . . . 70.14 111.078 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -118.66 -36.69 3.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 74.11 110.91 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.42 122.31 17.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 64.25 111.049 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.37 -175.55 2.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 73.21 110.878 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 86.6 m -139.06 88.04 13.6 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.593 0.711 . . . . 64.43 111.097 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -172.61 0.59 Allowed 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.742 2.294 . . . . 74.41 112.331 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.3 tp -64.68 142.64 58.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 75.4 110.919 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.4 mt 66.09 53.16 1.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 72.31 110.927 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 6.6 m80 -143.66 167.49 22.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 61.34 110.892 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -74.21 120.79 20.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 64.55 110.849 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.9 p -132.81 6.23 3.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 71.42 110.84 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.6 t -58.09 -26.25 62.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 72.32 110.883 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -80.23 -20.06 45.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.088 -0.506 . . . . 71.5 110.846 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -164.29 120.85 1.61 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 75.23 110.818 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 66.2 mtp180 -85.09 -21.81 29.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 74.2 110.926 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -102.51 25.11 9.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 71.22 110.828 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 44.2 p -99.17 -30.97 11.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 72.04 110.893 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 54.3 m -52.11 133.21 33.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.13 -0.486 . . . . 75.02 110.873 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -52.71 171.89 0.05 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 64.14 110.849 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.72 167.92 19.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 71.55 110.82 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -113.86 164.43 12.06 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 54.45 112.481 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.82 -35.36 44.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.776 0.322 . . . . 73.41 110.852 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 7.1 mmt -118.54 -44.61 2.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.448 . . . . 73.11 110.919 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -144.56 142.35 30.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 75.1 110.869 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.72 157.75 0.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 74.21 110.944 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -75.73 163.98 26.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 74.21 110.97 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.9 p -116.0 148.94 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 75.02 111.141 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 47.5 t -99.95 112.58 24.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 72.13 110.912 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -91.39 152.77 20.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 75.21 110.833 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.8 m -135.03 151.17 50.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 71.32 110.904 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -145.14 155.46 43.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 74.22 110.9 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -126.71 77.82 73.62 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.705 0.764 . . . . 71.32 110.881 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 77.3 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.618 2.212 . . . . 62.13 112.303 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 65.75 30.22 10.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 62.33 110.947 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -169.32 76.28 0.11 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.769 -0.729 . . . . 63.23 112.495 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -92.77 -24.63 18.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.899 0.38 . . . . 64.2 110.862 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -108.59 26.19 10.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 73.21 110.878 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.1 ptpt -139.85 -49.62 0.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 70.31 110.926 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.6 m -161.91 115.8 1.87 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.296 -0.411 . . . . 72.44 111.121 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -96.21 131.92 42.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 75.52 110.818 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 13.0 t -95.83 112.21 27.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.117 -0.492 . . . . 73.1 111.096 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 44.2 m -117.45 150.5 38.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 71.02 110.911 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.9 p -148.89 154.24 39.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.193 -0.458 . . . . 73.1 110.848 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 t -73.75 129.59 38.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.081 -0.508 . . . . 42.14 110.868 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -143.52 173.43 11.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 72.23 110.908 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -95.28 147.15 32.56 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.622 0.725 . . . . 63.22 110.906 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 164.18 35.45 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.671 2.247 . . . . 73.1 112.32 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.63 -32.22 28.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 73.41 110.932 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.83 -58.32 5.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 71.41 110.848 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -57.13 -32.35 66.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.491 . . . . 71.31 110.813 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.05 -51.11 42.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 62.25 110.887 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 55.9 mt -60.62 -35.8 66.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 63.31 111.098 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.83 -55.26 13.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 71.32 111.111 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -59.89 -31.15 69.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 71.55 110.917 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -69.54 -58.83 3.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 74.32 110.919 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 46.7 mt -55.73 -45.59 79.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 74.24 111.206 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 39.4 mt -62.78 -48.58 87.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.073 -0.512 . . . . 70.44 111.137 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -57.37 -46.48 83.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.157 -0.474 . . . . 72.11 110.832 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.6 ttpp -61.84 -47.82 83.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 63.32 110.912 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.69 -60.96 2.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 51.11 111.085 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.02 -55.91 17.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 73.32 110.87 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.3 m 64.35 16.02 9.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 74.35 111.126 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.8 m -91.73 -24.8 19.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 72.3 111.075 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.6 mt . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.252 -0.431 . . . . 75.53 110.888 -179.973 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.851 0.358 . . . . 70.14 111.126 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -161.38 162.67 30.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 74.11 110.934 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -165.22 176.15 8.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 64.25 111.033 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 30.5 p -103.86 -174.12 2.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 73.21 110.901 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.646 HG23 ' HB3' ' A' ' 9' ' ' HIS . 27.1 m -109.73 82.35 2.27 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.524 0.678 . . . . 64.43 111.074 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 -167.39 0.23 Allowed 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.693 2.262 . . . . 74.41 112.339 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.7 tp -62.26 140.72 58.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 75.4 110.93 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.1 mt 65.99 54.94 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 72.31 110.845 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.646 ' HB3' HG23 ' A' ' 5' ' ' THR . 13.6 m80 -146.77 166.1 27.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.28 -0.418 . . . . 61.34 110.846 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -73.87 121.22 20.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 64.55 110.821 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.0 p -133.01 6.57 3.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 71.42 110.886 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.1 t -57.75 -23.33 51.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 72.32 110.893 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -80.25 -20.28 44.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.499 . . . . 71.5 110.88 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -165.49 123.57 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 75.23 110.881 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -85.13 -15.53 43.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 74.2 110.855 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -110.01 20.01 18.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 71.22 110.864 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.3 p -100.08 -22.25 15.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 72.04 110.854 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 m -51.91 156.56 1.47 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 75.02 110.856 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 12.8 m -68.58 156.68 37.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 64.14 110.877 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -80.22 156.44 26.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 71.55 110.948 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -105.02 -173.8 24.41 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.816 -0.707 . . . . 54.45 112.496 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -76.37 -23.49 54.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.769 0.319 . . . . 73.41 110.914 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -126.05 -45.98 1.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 73.11 110.865 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -145.91 140.99 27.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 75.1 110.914 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -53.9 155.53 3.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 74.21 111.003 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -70.6 161.73 30.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.29 -0.414 . . . . 74.21 110.959 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.2 m -112.2 140.0 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 75.02 111.133 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 39.0 t -89.05 109.65 20.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 72.13 110.889 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -89.88 155.9 18.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.473 . . . . 75.21 110.805 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 68.8 m -136.81 138.56 40.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 71.32 110.897 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -145.41 -178.9 6.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 74.22 110.9 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -143.57 153.95 59.16 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.689 0.757 . . . . 71.32 110.898 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.69 74.47 1.26 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.687 2.258 . . . . 62.13 112.36 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 53.1 28.59 7.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 62.33 110.867 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 177.06 124.98 0.87 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.694 -0.765 . . . . 63.23 112.409 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.02 -15.91 61.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.824 0.345 . . . . 64.2 110.838 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -94.7 38.68 1.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 73.21 110.926 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -132.96 -74.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 70.31 110.868 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 30.2 m -157.0 135.95 11.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.452 . . . . 72.44 111.113 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -93.31 112.49 24.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 75.52 110.905 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.2 t -112.55 119.79 61.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 73.1 111.061 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 57.1 m -113.9 151.11 32.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 71.02 110.827 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.3 p -148.47 154.74 40.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.089 -0.505 . . . . 73.1 110.82 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 t -73.13 125.54 27.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.515 . . . . 42.14 110.853 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -140.75 172.08 13.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 72.23 110.979 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -95.57 147.41 32.97 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.572 0.701 . . . . 63.22 110.921 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 145.48 57.18 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.649 2.233 . . . . 73.1 112.382 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.01 -19.11 60.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 73.41 110.928 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.15 -55.83 10.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 71.41 110.865 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.77 -34.11 73.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 71.31 110.81 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.03 -54.9 26.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 62.25 110.844 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.47 HG22 ' CD1' ' A' ' 56' ' ' ILE . 66.1 mt -65.11 -44.01 95.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 63.31 111.064 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.03 -50.64 73.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 71.32 111.057 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -61.02 -47.35 86.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 71.55 110.905 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp -54.56 -52.18 62.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 74.32 110.842 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.47 ' CD1' HG22 ' A' ' 52' ' ' ILE . 29.4 mt -57.26 -53.53 42.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 74.24 111.139 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 47.9 mt -56.46 -41.96 73.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 70.44 111.099 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -59.01 -60.42 3.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 72.11 110.88 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -61.39 -25.48 67.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 63.32 110.91 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.87 -59.67 3.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 51.11 111.101 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.41 -27.65 65.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 73.32 110.852 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 96.3 m -75.64 -24.58 56.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.301 -0.409 . . . . 74.35 111.133 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 95.4 m -98.64 -26.22 14.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 72.3 111.163 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.1 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 75.53 110.889 -179.988 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.833 0.349 . . . . 70.14 111.072 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.5 tmtt? -127.86 138.91 52.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 74.11 110.855 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 63.56 37.12 10.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 64.25 111.099 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m -132.7 161.73 33.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 73.21 110.879 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.591 HG23 ' HB3' ' A' ' 9' ' ' HIS . 96.8 m -116.57 81.0 10.89 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.542 0.687 . . . . 64.43 111.181 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -168.43 0.28 Allowed 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.638 2.225 . . . . 74.41 112.355 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.672 HD12 ' O ' ' A' ' 44' ' ' CYS . 19.8 tp -60.88 150.52 32.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 75.4 110.939 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.517 ' H ' HD12 ' A' ' 7' ' ' LEU . 26.0 mt 59.94 58.3 2.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.142 -0.481 . . . . 72.31 110.906 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.591 ' HB3' HG23 ' A' ' 5' ' ' THR . 6.3 m80 -145.6 167.75 22.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 61.34 110.855 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -77.35 118.7 20.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 64.55 110.843 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.9 p -132.14 6.53 4.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 71.42 110.856 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.5 t -61.0 -26.45 67.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.421 . . . . 72.32 110.891 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -79.84 -15.21 57.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 71.5 110.859 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -170.39 113.97 0.46 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.176 -0.465 . . . . 75.23 110.89 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.3 mtm180 -72.55 -14.52 61.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 74.2 110.832 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -107.37 24.45 12.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 71.22 110.832 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -87.22 -39.85 15.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 72.04 110.788 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 98.7 m -51.75 133.0 31.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 75.02 110.88 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 99.2 m -79.83 165.75 22.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 64.14 110.842 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -79.45 151.69 30.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 71.55 110.87 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -96.82 -159.32 31.59 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.756 -0.735 . . . . 54.45 112.53 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.57 -35.15 46.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.755 0.312 . . . . 73.41 110.867 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 43.7 mtt -99.91 -63.7 1.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 73.11 110.887 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -136.02 172.14 13.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 75.1 110.913 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -81.17 158.03 25.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.492 . . . . 74.21 110.93 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -88.47 164.28 15.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 74.21 110.899 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.1 p -119.15 149.79 21.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 75.02 111.151 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.5 t -95.18 113.06 24.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 72.13 110.867 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -90.34 153.5 20.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 75.21 110.871 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 93.7 m -138.96 138.56 37.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 71.32 110.871 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -145.34 175.7 10.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 74.22 110.906 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -143.89 153.6 57.6 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.666 0.746 . . . . 71.32 110.891 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 73.99 1.32 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.679 2.253 . . . . 62.13 112.352 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 56.63 24.35 8.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.48 . . . . 62.33 110.845 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 175.6 125.71 0.89 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.76 -0.733 . . . . 63.23 112.505 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -77.93 -7.04 56.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.867 0.365 . . . . 64.2 110.915 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -92.65 14.85 15.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 73.21 110.84 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -114.57 -74.62 0.61 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.256 -0.429 . . . . 70.31 110.865 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.5 m -151.35 140.57 21.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.212 -0.449 . . . . 72.44 111.11 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.58 114.32 27.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 75.52 110.859 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.6 t -112.08 116.55 52.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 73.1 111.19 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 59.7 m -116.67 150.61 37.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 71.02 110.909 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -150.28 153.54 36.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 73.1 110.917 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.672 ' O ' HD12 ' A' ' 7' ' ' LEU . 1.8 t -69.32 128.23 35.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 42.14 110.93 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -139.99 171.74 13.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 72.23 110.945 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -95.56 147.24 32.69 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.6 0.714 . . . . 63.22 110.923 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 166.11 28.7 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.684 2.256 . . . . 73.1 112.357 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.47 -36.82 62.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 73.41 110.933 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.7 -51.2 68.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 71.41 110.853 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -59.35 -40.24 85.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.101 -0.499 . . . . 71.31 110.871 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.14 -48.5 79.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 62.25 110.936 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.585 HG22 HD11 ' A' ' 56' ' ' ILE . 32.3 mm -62.47 -59.4 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 63.31 111.199 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.588 ' HA ' HD12 ' A' ' 56' ' ' ILE . . . -52.58 -35.71 54.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 71.32 111.078 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -65.8 -51.78 56.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 71.55 110.863 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.8 ptmt -61.31 -30.96 70.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 74.32 110.893 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.588 HD12 ' HA ' ' A' ' 53' ' ' ALA . 34.2 mt -70.58 -60.26 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 74.24 111.142 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 42.0 mm -55.89 -42.44 70.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.264 -0.425 . . . . 70.44 111.141 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -64.52 -53.12 53.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 72.11 110.891 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -60.71 -28.2 68.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 63.32 110.938 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.41 -52.35 16.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 51.11 111.012 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.57 -24.81 64.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 73.32 110.905 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 95.3 m -78.0 -32.73 51.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 74.35 111.204 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 24.3 m -88.29 -36.47 16.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 72.3 111.18 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 37.9 mt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 75.53 110.897 179.916 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.84 0.352 . . . . 70.14 111.123 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -109.74 128.78 55.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 74.11 110.894 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -87.27 42.0 1.01 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 64.25 111.1 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 30.5 p -121.1 -174.26 2.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 73.21 110.876 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.4 m -109.56 82.84 2.34 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.543 0.687 . . . . 64.43 111.139 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -171.47 0.47 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.635 2.223 . . . . 74.41 112.378 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.3 tp -65.42 142.06 58.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 75.4 110.875 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.6 mt 66.2 50.93 1.31 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 72.31 110.932 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.8 m80 -144.52 165.34 28.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 61.34 110.879 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.34 115.73 6.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.426 . . . . 64.55 110.853 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.1 p -119.28 8.2 11.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 71.42 110.878 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.67 -46.68 58.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 72.32 110.804 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 35.5 m170 -96.58 20.32 10.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 71.5 110.817 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -149.57 101.39 3.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 75.23 110.889 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 73.8 mtm180 -77.22 -69.74 0.51 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 74.2 110.854 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -106.67 26.2 10.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 71.22 110.908 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.94 -11.84 37.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 72.04 110.789 -179.714 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.7 m -51.64 156.64 1.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 75.02 110.952 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 13.0 m -68.32 151.37 47.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 64.14 110.818 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -80.27 152.02 29.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 71.55 110.901 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -99.88 -171.64 30.14 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.83 -0.7 . . . . 54.45 112.505 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -73.71 -35.13 65.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.737 0.303 . . . . 73.41 110.817 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -104.04 -51.44 3.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 73.11 110.935 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -145.83 172.47 13.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.463 . . . . 75.1 110.899 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.28 159.18 30.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 74.21 110.874 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -84.81 167.44 16.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 74.21 110.926 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.1 p -117.0 149.58 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 75.02 111.15 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 29.4 t -97.87 120.54 38.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 72.13 110.877 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.62 156.03 17.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 75.21 110.841 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 55.7 m -136.19 135.79 39.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 71.32 110.92 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -145.6 -175.85 4.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 74.22 110.899 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -144.19 153.08 55.89 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.643 0.735 . . . . 71.32 110.925 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 74.97 1.24 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.672 2.248 . . . . 62.13 112.31 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 59.25 23.52 11.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.423 . . . . 62.33 110.887 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 169.78 131.82 1.37 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.755 -0.736 . . . . 63.23 112.547 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -95.1 28.22 2.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.868 0.366 . . . . 64.2 110.888 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -110.32 25.4 11.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 73.21 110.841 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.55 -62.1 0.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 70.31 110.907 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.1 m -161.63 148.87 14.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 72.44 111.132 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -100.39 121.72 41.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.217 -0.447 . . . . 75.52 110.935 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 14.2 t -105.57 113.87 43.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 73.1 111.109 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 48.5 m -110.62 150.35 29.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 71.02 110.845 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.4 p -150.18 150.3 31.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 73.1 110.879 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 t -72.47 129.98 39.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 42.14 110.93 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -140.9 174.63 10.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 72.23 110.931 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -94.66 146.3 31.19 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.58 0.705 . . . . 63.22 110.944 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.85 168.09 22.66 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.671 2.247 . . . . 73.1 112.298 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.99 -41.0 82.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 73.41 110.902 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 51.4 p -63.5 -37.6 87.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 71.41 110.851 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -65.79 -56.58 11.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 71.31 110.892 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -57.93 -45.04 87.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 62.25 110.829 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 25.7 mm -64.56 -50.64 74.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 63.31 111.131 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.63 -51.09 61.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 71.32 111.09 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.99 -44.96 95.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 71.55 110.858 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.03 -50.12 67.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 74.32 110.88 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 43.0 mm -62.88 -54.28 35.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 74.24 111.117 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 30.9 mt -51.94 -41.33 30.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.451 . . . . 70.44 111.15 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -67.64 -43.75 79.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.186 -0.461 . . . . 72.11 110.896 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.83 -32.54 74.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 63.32 110.882 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.6 -59.37 2.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.293 -0.412 . . . . 51.11 111.058 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.48 -53.99 51.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 73.32 110.84 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.3 m 64.34 16.6 10.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 74.35 111.159 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 19.1 m -95.08 -35.74 11.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.25 -0.432 . . . . 72.3 111.145 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.9 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 75.53 110.957 179.902 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.881 0.372 . . . . 70.14 111.075 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -117.01 22.33 12.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 74.11 110.869 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -83.33 129.67 35.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 64.25 111.058 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m -117.85 160.66 21.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 73.21 110.907 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.6 HG23 ' HB3' ' A' ' 9' ' ' HIS . 98.0 m -114.57 80.22 6.08 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.583 0.706 . . . . 64.43 111.152 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -168.34 0.27 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.679 2.253 . . . . 74.41 112.342 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.661 HD12 ' O ' ' A' ' 44' ' ' CYS . 20.1 tp -60.67 150.1 33.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 75.4 110.941 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.527 ' H ' HD12 ' A' ' 7' ' ' LEU . 26.5 mt 59.95 58.64 2.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 72.31 110.89 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.6 ' HB3' HG23 ' A' ' 5' ' ' THR . 6.2 m80 -144.96 167.56 22.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 61.34 110.895 179.766 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -78.0 119.44 21.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 64.55 110.855 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.9 p -133.07 6.43 3.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 71.42 110.815 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.9 t -59.73 -26.06 65.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 72.32 110.843 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -79.72 -19.83 47.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 71.5 110.878 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -165.87 116.0 1.02 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 75.23 110.883 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 31.8 mtm-85 -71.82 -19.95 61.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 74.2 110.9 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -102.02 24.64 9.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 71.22 110.844 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -84.58 -41.32 16.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.203 -0.453 . . . . 72.04 110.85 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 88.3 m -51.78 133.65 31.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 75.02 110.904 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 92.8 m -79.72 164.42 23.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 64.14 110.828 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -80.0 150.17 30.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 71.55 110.868 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -97.85 -164.77 31.48 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.702 -0.761 . . . . 54.45 112.459 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -79.94 -29.16 39.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.736 0.303 . . . . 73.41 110.837 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -105.18 -61.36 1.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 73.11 110.834 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -146.23 139.45 25.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 75.1 110.881 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.02 160.76 2.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 74.21 110.879 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -90.45 167.5 12.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 74.21 110.892 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.7 p -121.71 148.43 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.088 -0.506 . . . . 75.02 111.097 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.5 t -91.9 112.69 24.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 72.13 110.873 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -90.43 154.9 19.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 75.21 110.853 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 87.1 m -140.0 139.77 36.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 71.32 110.918 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -145.27 175.41 10.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 74.22 110.866 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -144.38 153.96 56.34 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.684 0.754 . . . . 71.32 110.917 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 75.08 1.23 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.669 2.246 . . . . 62.13 112.351 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 55.71 26.93 9.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.244 -0.434 . . . . 62.33 110.92 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 169.54 132.45 1.45 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.736 -0.745 . . . . 63.23 112.464 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -80.99 -1.02 42.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.796 0.332 . . . . 64.2 110.879 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -96.74 25.39 5.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.177 -0.465 . . . . 73.21 110.859 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.8 mptt -127.79 -75.17 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 70.31 110.893 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.1 m -151.63 139.86 20.31 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.227 -0.442 . . . . 72.44 111.037 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.02 111.41 23.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 75.52 110.901 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 20.0 t -108.05 118.55 55.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 73.1 111.071 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 62.6 m -119.0 148.48 42.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 71.02 110.89 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.4 p -150.35 154.39 37.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 73.1 110.901 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.661 ' O ' HD12 ' A' ' 7' ' ' LEU . 1.8 t -69.28 127.49 33.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 42.14 110.872 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -140.81 171.41 14.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 72.23 110.932 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -95.22 145.16 29.05 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.589 0.709 . . . . 63.22 110.969 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.65 144.41 54.52 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.696 2.264 . . . . 73.1 112.366 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.467 ' HE2' HD11 ' A' ' 52' ' ' ILE . 0.1 OUTLIER -59.84 -19.66 52.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 73.41 110.871 179.888 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.26 -58.9 3.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 71.41 110.852 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -35.54 80.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 71.31 110.94 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.0 mtpt -63.7 -62.68 1.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 62.25 110.904 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.467 HD11 ' HE2' ' A' ' 48' ' ' LYS . 50.6 mt -56.27 -52.35 52.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.246 -0.434 . . . . 63.31 111.122 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.73 -44.44 66.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.487 . . . . 71.32 111.151 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -65.59 -34.74 78.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 71.55 110.899 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.25 -33.8 67.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 74.32 110.888 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 97.3 mt -72.21 -47.44 53.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 74.24 111.123 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 49.6 mm -68.34 -41.52 83.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 70.44 111.13 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -66.41 -52.09 50.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.091 -0.504 . . . . 72.11 110.876 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.62 -40.34 94.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 63.32 110.824 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.98 -63.19 1.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.276 -0.42 . . . . 51.11 111.112 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.8 -55.6 21.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 73.32 110.902 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.4 m 64.0 16.42 9.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 74.35 111.149 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 85.5 m -90.09 -28.13 19.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.167 -0.469 . . . . 72.3 111.155 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.1 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 75.53 110.877 179.994 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.876 0.369 . . . . 70.14 111.107 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -110.46 -35.51 6.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 74.11 110.879 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 63.83 35.42 11.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 64.25 111.084 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.9 p -95.7 -173.91 3.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 73.21 110.901 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.659 HG23 ' HB3' ' A' ' 9' ' ' HIS . 30.7 m -110.23 80.71 1.98 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.564 0.697 . . . . 64.43 111.038 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -166.76 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.672 2.248 . . . . 74.41 112.339 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 15.1 tp -62.48 137.96 58.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 75.4 110.894 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.8 mt 66.85 56.2 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 72.31 110.919 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.659 ' HB3' HG23 ' A' ' 5' ' ' THR . 8.2 m80 -145.12 168.42 20.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 61.34 110.874 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -79.76 121.09 24.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 64.55 110.907 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.4 p -123.88 8.71 8.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.284 -0.416 . . . . 71.42 110.872 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.6 t -58.3 -29.02 65.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 72.32 110.893 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 20.7 m-70 -79.59 -20.48 46.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 71.5 110.82 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -162.75 114.46 1.55 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 75.23 110.933 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.1 mtm180 -85.23 -4.81 59.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 74.2 110.867 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.4 m170 -120.77 17.66 11.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 71.22 110.817 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.4 m -100.36 -20.46 15.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 72.04 110.962 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 m -51.77 141.92 16.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.049 -0.523 . . . . 75.02 110.868 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -70.55 176.34 4.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 64.14 110.917 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.6 ttp180 -80.09 177.86 8.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 71.55 110.846 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -119.92 -175.48 15.73 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.815 -0.707 . . . . 54.45 112.459 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -71.35 -34.4 70.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.805 0.335 . . . . 73.41 110.87 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.5 mmt -119.42 -38.78 2.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 73.11 110.95 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -145.72 150.29 35.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 75.1 110.875 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -52.64 155.07 2.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 74.21 110.881 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -78.47 160.42 27.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 74.21 110.874 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.0 p -121.98 149.32 25.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.082 -0.508 . . . . 75.02 111.143 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 35.1 t -96.4 108.32 20.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 72.13 110.921 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -102.13 139.36 37.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.436 . . . . 75.21 110.876 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 57.4 m -123.16 128.06 49.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 71.32 110.883 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -145.75 149.86 35.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 74.22 110.906 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -84.2 153.12 62.57 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.672 0.749 . . . . 71.32 110.887 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 71.13 1.52 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.689 2.259 . . . . 62.13 112.364 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 50.87 29.7 4.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 62.33 110.886 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.66 145.09 4.44 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.677 -0.773 . . . . 63.23 112.47 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -83.93 70.21 10.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.871 0.367 . . . . 64.2 110.886 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.71 -72.09 0.19 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 73.21 110.906 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.55 -48.07 1.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 70.31 110.871 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.441 HG22 ' H ' ' A' ' 40' ' ' GLU . 0.4 OUTLIER -161.0 167.88 25.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 72.44 111.164 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.441 ' H ' HG22 ' A' ' 39' ' ' THR . 19.8 pt-20 -91.18 150.0 21.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 75.52 110.868 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 26.2 t -95.82 127.18 48.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 73.1 111.097 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 81.5 m -96.31 132.87 41.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 71.02 110.805 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.5 p -140.27 157.71 45.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 73.1 110.885 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.6 t -80.31 121.18 25.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 42.14 110.909 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -130.44 -177.62 4.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 72.23 110.907 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.09 154.92 40.54 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.592 0.71 . . . . 63.22 110.981 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 173.9 10.34 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.711 2.274 . . . . 73.1 112.323 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.31 -22.64 53.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 73.41 110.93 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.2 -56.21 4.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 71.41 110.837 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.96 -30.12 68.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 71.31 110.851 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.75 -55.12 8.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 62.25 110.836 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 77.9 mt -62.22 -44.02 98.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 63.31 111.116 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.67 -52.59 63.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 71.32 111.085 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -57.89 -40.34 80.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 71.55 110.836 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -60.63 -56.53 20.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 74.32 110.91 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 39.6 mm -55.03 -56.31 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 74.24 111.144 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 40.2 mm -53.89 -46.53 64.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 70.44 111.165 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -56.25 -53.83 52.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 72.11 110.877 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.1 ttmt -64.92 -23.44 67.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 63.32 110.872 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.32 -55.82 8.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.421 . . . . 51.11 111.127 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.99 -28.47 64.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 73.32 110.923 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 97.9 m -74.89 -27.49 60.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 74.35 111.181 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 97.0 m -93.42 -51.17 5.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 72.3 111.173 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 36.5 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 75.53 110.933 179.961 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.119 0 CA-C-O 120.914 0.387 . . . . 70.14 111.093 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.24 107.96 19.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 74.11 110.943 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -155.07 162.91 40.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 64.25 111.086 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.2 m -100.48 161.8 13.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 73.21 110.875 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.609 HG23 ' HB3' ' A' ' 9' ' ' HIS . 97.6 m -114.88 80.09 6.4 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.63 0.729 . . . . 64.43 111.136 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -169.97 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.652 2.235 . . . . 74.41 112.318 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.698 HD12 ' O ' ' A' ' 44' ' ' CYS . 25.2 tp -59.03 150.76 23.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 75.4 110.938 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.432 ' H ' HD12 ' A' ' 7' ' ' LEU . 27.6 mt 59.9 59.87 2.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 72.31 110.882 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.609 ' HB3' HG23 ' A' ' 5' ' ' THR . 6.0 m80 -145.32 168.35 20.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 61.34 110.815 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -78.59 118.01 20.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 64.55 110.857 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.5 p -126.83 1.39 6.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 71.42 110.875 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.4 t -57.6 -28.85 64.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 72.32 110.803 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 46.8 m170 -80.24 -20.24 45.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 71.5 110.821 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -160.7 120.17 2.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.423 . . . . 75.23 110.877 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 74.6 mtm180 -78.22 -19.39 53.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.458 . . . . 74.2 110.85 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.2 m-70 -108.16 26.75 10.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 71.22 110.855 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.2 p -84.38 -41.25 16.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 72.04 110.798 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 91.7 m -52.06 132.78 33.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 75.02 110.916 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 71.8 m -80.38 161.12 25.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 64.14 110.899 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.6 ttp180 -80.1 152.87 29.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.46 . . . . 71.55 110.911 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -114.07 140.39 16.3 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.79 -0.719 . . . . 54.45 112.505 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.75 -26.96 15.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.8 0.333 . . . . 73.41 110.862 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 51.1 mtm -103.01 -50.86 3.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 73.11 110.934 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -148.07 145.13 28.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 75.1 110.855 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -90.09 142.17 27.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 74.21 110.89 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -91.13 137.09 32.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 74.21 110.936 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.48 HG22 ' HD3' ' A' ' 47' ' ' PRO . 1.5 m -117.42 150.81 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 75.02 111.096 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 34.5 t -77.1 126.31 30.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 72.13 110.897 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -119.79 127.77 53.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 75.21 110.876 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 76.2 m -107.35 140.77 39.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 71.32 110.905 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -145.96 176.96 9.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.462 . . . . 74.22 110.945 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -138.25 151.94 70.57 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.674 0.75 . . . . 71.32 110.949 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.73 -0.79 7.39 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.695 2.264 . . . . 62.13 112.392 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 76.06 34.0 0.55 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 62.33 110.943 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -164.06 -34.62 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 63.23 112.486 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -101.8 79.18 1.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.818 0.342 . . . . 64.2 110.811 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -67.85 -10.59 54.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 73.21 110.823 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -98.96 19.77 14.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 70.31 110.921 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -159.75 104.08 1.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 72.44 111.201 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.8 135.6 40.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 75.52 110.908 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.7 t -106.38 115.14 47.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 73.1 111.102 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 34.3 m -108.67 141.28 40.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 71.02 110.908 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 74.8 p -149.01 157.39 43.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 73.1 110.917 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.698 ' O ' HD12 ' A' ' 7' ' ' LEU . 1.7 t -68.92 121.17 16.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 42.14 110.901 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -142.99 169.4 17.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 72.23 110.959 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -87.07 146.02 39.5 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.631 0.729 . . . . 63.22 110.87 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.48 ' HD3' HG22 ' A' ' 27' ' ' VAL . 54.1 Cg_endo -69.74 145.7 58.08 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.681 2.254 . . . . 73.1 112.384 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.24 -30.44 50.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.421 . . . . 73.41 110.836 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.01 -56.92 11.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.286 -0.415 . . . . 71.41 110.853 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 56.7 m170 -62.89 -30.81 71.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 71.31 110.915 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -64.52 -58.94 4.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 62.25 110.914 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.627 HG22 HD11 ' A' ' 56' ' ' ILE . 62.7 mt -60.15 -45.15 96.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 63.31 111.173 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.54 -52.35 63.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 71.32 111.127 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.92 -46.55 88.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 71.55 110.903 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.8 mmtm -55.89 -50.69 69.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 74.32 110.926 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.627 HD11 HG22 ' A' ' 52' ' ' ILE . 27.0 mt -58.25 -55.01 24.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 74.24 111.119 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 38.2 mt -52.28 -51.57 31.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.46 . . . . 70.44 111.119 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -58.35 -47.36 84.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.221 -0.445 . . . . 72.11 110.877 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -60.48 -32.08 71.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 63.32 110.9 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.12 -60.57 2.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 51.11 111.119 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.2 mtpp -53.68 -53.06 57.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 73.32 110.956 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.4 m 64.19 16.29 9.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 74.35 111.133 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -88.1 -23.39 23.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 72.3 111.096 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.6 mt . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.249 -0.432 . . . . 75.53 110.904 179.973 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.872 0.368 . . . . 70.14 111.118 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.82 16.18 15.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 74.11 110.872 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -86.43 47.34 1.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 64.25 111.103 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.6 p -147.44 -174.08 4.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 73.21 110.869 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.9 m -109.43 83.26 2.44 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.549 0.69 . . . . 64.43 111.175 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -170.79 0.41 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.658 2.239 . . . . 74.41 112.351 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.1 tp -64.84 141.95 58.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 75.4 110.955 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.5 mt 65.81 52.02 1.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 72.31 110.932 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.5 m80 -144.85 165.64 27.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 61.34 110.8 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -67.51 103.77 1.41 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 64.55 110.808 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.8 p -104.59 5.25 33.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 71.42 110.931 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.0 t -50.44 -47.3 56.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 72.32 110.85 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -96.04 18.89 12.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 71.5 110.889 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -150.05 94.84 2.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 75.23 110.89 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.6 mtp85 -76.29 -70.46 0.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 74.2 110.85 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -102.08 25.51 8.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 71.22 110.83 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -97.03 -11.9 23.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.315 -0.402 . . . . 72.04 110.846 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.7 m -51.04 151.7 2.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.068 -0.515 . . . . 75.02 110.925 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 20.0 m -64.96 158.02 26.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 64.14 110.875 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -79.98 153.62 28.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 71.55 110.879 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -99.24 -175.7 31.6 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.715 -0.755 . . . . 54.45 112.453 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.96 -24.58 59.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.825 0.345 . . . . 73.41 110.843 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.4 -45.46 1.66 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 73.11 110.899 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -135.87 164.04 28.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 75.1 110.824 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.77 142.23 37.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.496 . . . . 74.21 110.906 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -70.42 145.54 50.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 74.21 110.925 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.4 p -106.97 150.14 9.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.09 -0.504 . . . . 75.02 111.141 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 28.9 t -91.6 125.09 36.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 72.13 110.848 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -107.99 119.83 40.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.481 . . . . 75.21 110.885 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 14.9 m -102.49 143.06 32.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 71.32 110.858 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -145.53 166.53 25.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 74.22 110.842 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -144.05 154.95 58.75 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.758 0.79 . . . . 71.32 110.88 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 74.4 1.32 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.684 2.256 . . . . 62.13 112.287 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 54.65 26.52 7.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 62.33 110.873 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 171.71 142.15 3.61 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.674 -0.774 . . . . 63.23 112.412 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -91.09 14.19 14.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.836 0.35 . . . . 64.2 110.849 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.1 34.12 4.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 73.21 110.815 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -138.51 -75.05 0.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 70.31 110.897 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.1 m -152.08 139.15 19.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.244 -0.435 . . . . 72.44 111.141 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -97.12 108.66 21.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 75.52 110.863 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 14.7 t -107.89 113.47 43.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 73.1 111.129 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 17.5 m -118.72 152.85 35.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 71.02 110.853 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.3 p -149.91 142.37 24.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 73.1 110.835 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 t -68.58 134.22 49.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.082 -0.508 . . . . 42.14 110.895 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -141.39 -179.32 6.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 72.23 110.884 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -95.08 145.39 29.45 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.574 0.702 . . . . 63.22 110.958 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 168.18 22.31 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.683 2.255 . . . . 73.1 112.317 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -52.8 -30.37 32.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 73.41 110.853 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.68 -61.09 2.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.287 -0.415 . . . . 71.41 110.853 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -54.65 -38.0 66.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.081 -0.509 . . . . 71.31 110.816 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -63.5 -65.32 0.7 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.325 -0.398 . . . . 62.25 110.866 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 40.5 mm -54.53 -51.24 51.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 63.31 111.157 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.49 -51.83 51.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 71.32 111.098 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.58 -46.75 80.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 71.55 110.898 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.58 -49.99 69.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 74.32 110.886 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 49.6 mm -59.78 -58.31 7.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 74.24 111.118 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 46.1 mm -53.61 -36.14 27.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 70.44 111.123 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -65.34 -49.23 70.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 72.11 110.899 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.39 -37.64 86.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 63.32 110.918 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.54 -62.37 1.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 51.11 111.054 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.99 -55.64 25.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.294 -0.412 . . . . 73.32 110.935 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.4 m 63.45 16.19 9.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 74.35 111.175 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 54.0 m -89.59 -27.73 20.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 72.3 111.144 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.4 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 75.53 110.936 179.945 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.877 0.37 . . . . 70.14 111.129 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -114.92 127.31 55.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 74.11 110.84 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.13 143.83 56.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 64.25 111.097 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 32.1 p -107.06 -174.16 2.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 73.21 110.897 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.693 HG23 ' HB3' ' A' ' 9' ' ' HIS . 32.4 m -109.79 82.1 2.23 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.562 0.696 . . . . 64.43 111.163 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 -168.84 0.29 Allowed 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 122.655 2.237 . . . . 74.41 112.343 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.4 tp -60.85 141.48 57.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 75.4 110.888 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.7 mt 66.65 56.84 0.71 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 72.31 110.95 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.693 ' HB3' HG23 ' A' ' 5' ' ' THR . 14.2 m80 -147.19 165.94 28.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 61.34 110.851 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -77.11 119.8 21.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.186 -0.461 . . . . 64.55 110.848 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.8 p -133.29 5.6 3.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 71.42 110.881 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.01 -37.63 64.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 72.32 110.866 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -79.3 -20.48 47.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 71.5 110.865 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -154.35 106.66 2.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 75.23 110.861 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.4 mtp180 -84.74 -26.87 27.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 74.2 110.935 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -93.7 16.81 13.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 71.22 110.8 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 85.4 p -100.52 -19.09 16.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 72.04 110.863 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.7 m -51.59 154.94 1.72 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.087 -0.506 . . . . 75.02 110.879 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 10.5 m -69.63 153.42 43.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 64.14 110.913 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.53 170.2 15.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 71.55 110.905 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -116.48 -178.81 18.05 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.706 -0.759 . . . . 54.45 112.543 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.96 -34.63 76.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.776 0.322 . . . . 73.41 110.917 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -123.0 -36.4 2.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 73.11 110.86 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -145.61 138.09 25.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 75.1 110.88 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt -53.19 162.18 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 74.21 110.892 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -75.17 175.32 8.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 74.21 110.889 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.7 p -130.77 148.48 33.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 75.02 111.154 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.8 t -97.97 112.35 24.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 72.13 110.888 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -91.87 123.94 35.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 75.21 110.893 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 38.5 m -104.76 152.43 22.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 71.32 110.864 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -145.24 148.49 33.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 74.22 110.817 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -118.35 77.44 13.42 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.705 0.764 . . . . 71.32 110.926 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 76.42 1.11 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.709 2.272 . . . . 62.13 112.375 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 65.38 30.55 10.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 62.33 110.924 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -164.66 72.58 0.18 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 63.23 112.488 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -69.08 -61.39 1.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.885 0.374 . . . . 64.2 110.882 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -95.44 22.09 7.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.488 . . . . 73.21 110.808 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.7 mttp -117.22 -53.16 2.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 70.31 110.879 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -159.81 103.71 1.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 72.44 111.16 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -88.39 125.51 34.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 75.52 110.852 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 15.1 t -101.97 114.25 40.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.151 -0.477 . . . . 73.1 111.124 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 24.1 m -119.36 152.57 36.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 71.02 110.872 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.7 p -150.01 149.61 30.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 73.1 110.888 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 t -68.78 126.18 28.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 42.14 110.967 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -136.61 169.78 17.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 72.23 110.941 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -88.11 134.47 34.89 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.611 0.719 . . . . 63.22 110.883 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 145.07 55.87 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.647 2.231 . . . . 73.1 112.359 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -59.36 -19.66 48.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 73.41 110.85 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.29 -61.94 1.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 71.41 110.823 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.83 -36.41 83.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.185 -0.462 . . . . 71.31 110.885 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -63.6 1.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 62.25 110.871 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 40.4 mm -58.24 -30.07 38.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 63.31 111.092 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.38 -60.97 2.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 71.32 111.097 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.51 -29.39 69.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 71.55 110.864 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.7 mptt -65.76 -51.63 57.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.175 -0.466 . . . . 74.32 110.902 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 50.5 mt -64.88 -52.17 57.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 74.24 111.185 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 40.6 mm -54.74 -45.56 73.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.106 -0.497 . . . . 70.44 111.144 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -62.96 -57.77 9.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 72.11 110.888 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.43 -27.18 46.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 63.32 110.895 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.35 -59.71 2.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 51.11 111.074 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.5 ptmt -58.01 -25.66 61.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 73.32 110.863 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 95.4 m -75.0 -25.28 58.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 74.35 111.169 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 26.7 m -87.17 -31.61 20.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 72.3 111.111 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 20.2 mt . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 75.53 110.908 179.967 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.842 0.353 . . . . 70.14 111.105 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.63 -31.26 14.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.179 -0.464 . . . . 74.11 110.892 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 62.17 37.79 14.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.274 -0.421 . . . . 64.25 111.131 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m -93.9 156.11 16.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 73.21 110.861 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.559 HG23 ' HB3' ' A' ' 9' ' ' HIS . 93.3 m -114.73 79.55 5.83 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.607 0.718 . . . . 64.43 111.108 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -170.6 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.692 2.262 . . . . 74.41 112.359 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.7 tp -59.96 149.0 33.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 75.4 110.962 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.7 mt 65.78 55.13 1.0 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.235 -0.439 . . . . 72.31 110.935 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.559 ' HB3' HG23 ' A' ' 5' ' ' THR . 12.8 m80 -145.63 165.93 27.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 61.34 110.889 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -80.0 114.24 18.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 64.55 110.923 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.0 p -120.64 8.34 10.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 71.42 110.909 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.8 t -59.65 -26.2 65.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 72.32 110.869 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 21.3 m-70 -79.89 -20.09 46.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 71.5 110.878 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -162.96 122.23 2.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 75.23 110.851 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.33 -13.56 58.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 74.2 110.921 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -116.17 28.21 8.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 71.22 110.921 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.7 p -92.42 -35.63 13.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 72.04 110.853 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 63.3 m -51.46 133.01 30.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 75.02 110.825 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 55.1 m -80.22 177.14 9.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 64.14 110.885 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.8 ttp180 -73.66 153.24 40.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 71.55 110.83 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -96.59 -161.77 32.45 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.773 -0.727 . . . . 54.45 112.456 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -80.02 -34.75 38.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.372 . . . . 73.41 110.89 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 46.9 mtt -118.31 -40.49 2.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 73.11 110.915 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -144.17 155.0 43.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 75.1 110.889 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.86 158.18 33.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 74.21 110.909 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -89.89 162.24 15.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 74.21 110.938 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.1 p -128.9 149.65 33.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.479 . . . . 75.02 111.124 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.6 t -88.38 122.15 31.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 72.13 110.889 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -119.69 138.11 53.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 75.21 110.898 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 33.5 m -118.23 134.22 55.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 71.32 110.952 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -145.26 -177.23 5.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 74.22 110.863 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.438 ' HB3' ' HD2' ' A' ' 33' ' ' PRO . 1.5 m-85 -110.59 157.16 39.12 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.674 0.75 . . . . 71.32 110.956 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.438 ' HD2' ' HB3' ' A' ' 32' ' ' TYR . 54.5 Cg_endo -69.72 -2.47 10.2 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.707 2.271 . . . . 62.13 112.396 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 75.69 31.53 0.73 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 62.33 110.9 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -178.48 -57.9 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.732 -0.747 . . . . 63.23 112.49 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -99.94 70.6 1.61 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.859 0.362 . . . . 64.2 110.869 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -76.52 60.14 1.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 73.21 110.855 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.2 mttt -100.3 -17.08 17.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 70.31 110.885 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -159.88 106.79 1.64 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 72.44 111.129 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -51.69 124.86 13.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 75.52 110.906 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 22.1 t -95.07 120.2 44.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.494 . . . . 73.1 111.157 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 62.6 m -102.87 132.59 48.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 71.02 110.86 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 p -139.02 155.74 47.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 73.1 110.877 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 t -73.75 116.32 14.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 42.14 110.852 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -118.56 177.77 4.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 72.23 110.845 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -87.89 156.8 52.3 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.615 0.721 . . . . 63.22 110.83 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 172.48 12.55 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.699 2.266 . . . . 73.1 112.351 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -58.67 -21.68 54.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 73.41 110.934 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 16.1 m -75.82 -53.54 8.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 71.41 110.823 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -64.05 -34.45 78.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 71.31 110.881 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.33 -58.59 3.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 62.25 110.905 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 27.1 mm -55.9 -47.02 80.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 63.31 111.13 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.28 -49.76 75.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 71.32 111.081 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -51.89 -51.07 59.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.428 . . . . 71.55 110.864 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.19 -55.42 35.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 74.32 110.899 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 31.5 mm -52.37 -53.58 18.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 74.24 111.095 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 37.8 mm -58.49 -49.87 80.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 70.44 111.116 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -53.56 -53.49 50.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 72.11 110.902 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -63.78 -32.37 73.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 63.32 110.886 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.64 -50.36 72.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.424 . . . . 51.11 111.105 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.74 -40.42 76.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 73.32 110.816 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.6 m 63.65 16.37 9.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.237 -0.438 . . . . 74.35 111.141 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.4 m -85.98 -20.23 29.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 72.3 111.138 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 19.1 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 75.53 110.92 179.974 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.822 0.344 . . . . 64.25 111.079 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 29.9 p -109.03 -174.13 2.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 73.21 110.917 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.663 HG23 ' HB3' ' A' ' 9' ' ' HIS . 30.9 m -109.81 82.23 2.28 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.594 0.711 . . . . 64.43 111.19 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -168.61 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.728 2.285 . . . . 74.41 112.332 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.5 tp -61.39 142.18 57.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 75.4 110.937 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.2 mt 66.34 56.18 0.8 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 72.31 110.962 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.663 ' HB3' HG23 ' A' ' 5' ' ' THR . 5.3 m-70 -146.49 166.97 24.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 61.34 110.843 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -77.87 113.36 15.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 64.55 110.823 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.1 p -125.84 8.5 7.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 71.42 110.901 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.4 t -56.83 -27.37 59.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 72.32 110.89 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -80.12 -20.4 45.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 71.5 110.87 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -162.77 119.01 1.87 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 75.23 110.891 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.0 mtm-85 -85.03 -20.66 30.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 74.2 110.881 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.3 m170 -103.95 19.41 20.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 71.22 110.861 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.9 m -100.11 -21.18 15.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 72.04 110.852 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.7 m -51.35 157.6 0.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 75.02 110.917 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.9 m -66.14 155.64 36.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 64.14 110.854 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.6 ttt85 -80.14 161.66 25.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 71.55 110.835 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -114.05 -177.64 19.18 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.754 -0.736 . . . . 54.45 112.494 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.31 -34.58 65.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.811 0.339 . . . . 73.41 110.888 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 5.1 mtt -107.94 -46.16 3.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 73.11 110.868 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -146.89 175.69 10.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 75.1 110.908 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.0 145.96 29.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 74.21 110.878 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -57.32 166.56 1.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 74.21 110.94 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -117.67 136.52 54.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 75.02 111.113 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.4 t -92.09 114.13 26.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 72.13 110.908 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -92.46 149.59 21.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 75.21 110.868 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 35.4 m -131.75 151.4 51.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 71.32 110.902 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -145.06 148.1 33.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 74.22 110.94 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -121.8 77.37 39.01 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.665 0.745 . . . . 71.32 110.955 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 76.81 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.725 2.284 . . . . 62.13 112.344 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 65.71 30.52 10.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 62.33 110.878 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -164.68 70.2 0.2 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.764 -0.731 . . . . 63.23 112.504 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -79.13 -40.9 29.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 64.2 110.849 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -100.08 14.23 31.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 73.21 110.882 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.53 -61.02 1.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 70.31 110.911 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -160.31 107.19 1.57 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 72.44 111.12 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.55 129.6 34.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.453 . . . . 75.52 110.899 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.9 t -96.44 115.33 35.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 73.1 111.14 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 39.1 m -118.76 153.24 34.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 71.02 110.902 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.8 p -150.09 152.23 34.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 73.1 110.851 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 2.2 t -72.11 129.95 39.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 42.14 110.885 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -140.83 167.02 23.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 72.23 110.972 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -95.2 145.76 30.1 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.563 0.697 . . . . 63.22 110.909 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 169.82 18.03 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.661 2.241 . . . . 73.1 112.363 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.64 -33.35 71.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 73.41 110.889 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.7 m -64.61 -53.67 44.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.437 . . . . 71.41 110.855 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.92 -46.42 89.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 71.31 110.894 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -61.7 2.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.445 . . . . 62.25 110.929 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 35.8 mt -51.27 -46.81 33.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 63.31 111.155 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.41 -59.13 4.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 71.32 111.121 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.1 -48.43 64.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 71.55 110.877 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.9 mmtt -51.07 -55.1 19.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 74.32 110.922 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 42.4 mm -57.52 -51.18 73.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 74.24 111.123 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 43.9 mt -52.66 -56.88 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 70.44 111.134 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -56.52 -44.86 81.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 72.11 110.898 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.5 ttmt -56.45 -58.66 7.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 63.32 110.881 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 51.11 111.082 179.836 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.796 0.331 . . . . 64.25 111.119 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m -101.61 161.27 13.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.295 -0.411 . . . . 73.21 110.932 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.59 HG23 ' HB3' ' A' ' 9' ' ' HIS . 97.8 m -116.3 80.77 10.05 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.58 0.705 . . . . 64.43 111.178 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -168.84 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.638 2.225 . . . . 74.41 112.375 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.675 HD12 ' O ' ' A' ' 44' ' ' CYS . 20.2 tp -60.54 150.41 31.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 75.4 110.9 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.511 ' H ' HD12 ' A' ' 7' ' ' LEU . 26.1 mt 59.91 58.44 2.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 72.31 110.989 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.59 ' HB3' HG23 ' A' ' 5' ' ' THR . 2.1 m-70 -145.49 168.16 21.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 61.34 110.838 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.56 116.47 18.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 64.55 110.914 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.8 p -129.37 4.82 5.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 71.42 110.84 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 t -60.12 -24.4 64.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 72.32 110.86 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -79.7 -18.09 52.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 71.5 110.877 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -167.6 115.31 0.76 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 75.23 110.824 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.5 mtm180 -70.82 -13.06 61.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 74.2 110.86 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -110.43 25.24 11.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 71.22 110.875 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.7 m -86.27 -38.35 17.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 72.04 110.824 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 98.7 m -54.9 132.61 46.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 75.02 110.84 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 85.0 m -79.56 164.63 23.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 64.14 110.841 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 49.0 ttt85 -79.9 156.69 27.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 71.55 110.87 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -104.69 -159.98 23.84 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.717 -0.754 . . . . 54.45 112.502 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -77.49 -33.24 54.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.768 0.318 . . . . 73.41 110.851 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 17.2 mtt -100.18 -67.98 0.83 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 73.11 110.851 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -133.62 172.15 13.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 75.1 110.874 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -84.29 145.96 28.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 74.21 110.907 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -74.02 166.14 23.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 74.21 110.888 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.0 p -122.65 149.31 26.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 75.02 111.126 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 50.4 t -94.28 114.43 26.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 72.13 110.874 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -92.61 149.19 21.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 75.21 110.856 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 63.4 m -133.07 139.68 47.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 71.32 110.89 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -145.39 172.76 12.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 74.22 110.885 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -143.65 152.8 57.19 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.69 0.757 . . . . 71.32 110.952 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 73.95 1.3 Allowed 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.722 2.282 . . . . 62.13 112.34 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 55.47 25.55 7.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 62.33 110.916 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 174.7 120.88 0.61 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.752 -0.737 . . . . 63.23 112.503 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.7 pt-20 -74.23 -8.57 56.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.844 0.354 . . . . 64.2 110.959 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.01 10.63 23.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 73.21 110.819 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -110.18 -75.08 0.63 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.256 -0.429 . . . . 70.31 110.848 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.3 m -150.79 139.0 20.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 72.44 111.126 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.45 113.16 25.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 75.52 110.88 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.6 t -113.48 115.97 51.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 73.1 111.086 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 57.9 m -114.49 152.74 31.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 71.02 110.852 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 p -150.46 151.15 32.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 73.1 110.856 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.675 ' O ' HD12 ' A' ' 7' ' ' LEU . 1.8 t -67.99 127.89 34.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 42.14 110.856 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -140.47 170.93 14.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 72.23 110.935 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -95.26 146.51 31.45 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.59 0.709 . . . . 63.22 110.95 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 168.85 20.31 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.71 2.273 . . . . 73.1 112.35 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.06 -29.13 60.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 73.41 110.977 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.2 p -68.27 -55.44 12.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 71.41 110.907 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.78 -41.34 86.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 71.31 110.867 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -63.05 1.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 62.25 110.891 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 50.5 mt -54.23 -50.57 55.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 63.31 111.114 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.43 -54.08 36.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 71.32 111.116 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -55.82 -42.12 75.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 71.55 110.858 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -58.52 -51.9 67.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 74.32 110.887 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 49.3 mm -58.27 -58.14 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 74.24 111.102 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 50.5 mm -52.62 -40.74 35.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 70.44 111.155 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -60.38 -63.51 1.28 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 72.11 110.912 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.87 -25.66 61.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 63.32 110.894 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 51.11 111.098 179.856 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.89 0.376 . . . . 64.25 111.038 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.4 m -144.8 160.23 41.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 73.21 110.926 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.539 HG23 ' HB3' ' A' ' 9' ' ' HIS . 98.2 m -118.74 81.21 18.36 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.568 0.699 . . . . 64.43 111.103 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -172.88 0.62 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.659 2.24 . . . . 74.41 112.347 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.0 tp -59.04 146.34 38.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 75.4 110.97 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.0 mt 65.9 57.61 0.8 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.239 -0.437 . . . . 72.31 110.888 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.539 ' HB3' HG23 ' A' ' 5' ' ' THR . 4.9 m-70 -146.68 170.69 16.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 61.34 110.866 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.79 123.16 27.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.26 -0.427 . . . . 64.55 110.9 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 22.0 p -132.17 5.44 4.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 71.42 110.903 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.58 -25.37 66.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.155 -0.475 . . . . 72.32 110.839 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 -79.72 -18.51 51.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.482 . . . . 71.5 110.887 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -167.33 123.39 1.12 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 75.23 110.881 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 48.7 mtm180 -78.2 -17.73 56.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 74.2 110.854 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 -109.68 35.39 3.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 71.22 110.856 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -97.47 -35.94 10.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 72.04 110.891 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 68.4 m -53.68 131.79 39.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.064 -0.516 . . . . 75.02 110.79 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 65.6 m -80.65 167.57 19.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 64.14 110.938 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -80.1 152.56 29.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.291 -0.413 . . . . 71.55 110.82 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -105.8 -176.31 23.86 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.784 -0.722 . . . . 54.45 112.479 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.83 -24.79 41.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.795 0.331 . . . . 73.41 110.928 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.3 mtt -108.99 -52.42 2.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 73.11 110.809 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -146.64 158.21 43.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 75.1 110.821 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.66 145.62 28.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 74.21 110.891 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -90.01 147.11 23.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 74.21 110.929 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.564 HG22 ' H ' ' A' ' 28' ' ' CYS . 0.6 OUTLIER -118.76 176.66 3.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 75.02 111.154 179.875 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.564 ' H ' HG22 ' A' ' 27' ' ' VAL . 12.3 t -100.3 116.08 31.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 72.13 110.857 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -103.08 113.82 27.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 75.21 110.858 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 94.3 m -100.77 137.76 38.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 71.32 110.92 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -145.25 178.98 7.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.466 . . . . 74.22 110.846 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -143.46 153.97 59.56 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.76 0.791 . . . . 71.32 110.902 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 74.05 1.32 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.686 2.257 . . . . 62.13 112.327 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 54.75 26.63 7.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 62.33 110.843 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 177.07 124.24 0.83 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.709 -0.758 . . . . 63.23 112.476 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -75.07 -10.42 59.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.844 0.354 . . . . 64.2 110.873 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.0 27.71 3.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 73.21 110.876 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.3 mttm -124.01 -74.8 0.6 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 70.31 110.872 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 89.7 m -154.12 140.24 18.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.254 -0.43 . . . . 72.44 111.213 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -96.46 116.12 28.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.273 -0.421 . . . . 75.52 110.942 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 18.2 t -114.58 117.73 56.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 73.1 111.157 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.1 m -117.43 139.64 50.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 71.02 110.84 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.0 p -145.59 155.53 43.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.129 -0.487 . . . . 73.1 110.801 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 2.3 t -68.01 116.26 8.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.498 . . . . 42.14 110.891 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -143.62 173.78 11.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 72.23 110.895 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -87.0 143.04 34.41 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.586 0.707 . . . . 63.22 110.89 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 148.7 65.78 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.625 2.217 . . . . 73.1 112.343 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.15 -28.94 56.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 73.41 110.892 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.74 -51.73 52.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 71.41 110.801 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 49.9 m170 -64.02 -41.6 97.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 71.31 110.843 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.8 mmtp -59.83 -58.51 8.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 62.25 110.918 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 38.8 mt -55.49 -48.5 77.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 63.31 111.166 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.72 -57.88 8.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 71.32 111.054 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.01 -44.03 70.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 71.55 110.917 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.3 mmmt -54.29 -53.36 54.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 74.32 110.914 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 49.4 mm -58.25 -56.81 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 74.24 111.13 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 49.8 mm -51.58 -55.33 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 70.44 111.076 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -51.99 -45.39 64.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 72.11 110.859 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.2 ttmm -65.41 -33.72 76.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 63.32 110.898 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 51.11 111.132 179.787 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.881 0.372 . . . . 64.25 111.095 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.48 -175.47 3.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 73.21 110.868 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 92.2 m -138.86 87.55 14.4 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.577 0.703 . . . . 64.43 111.146 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.83 -171.97 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.63 2.22 . . . . 74.41 112.353 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.3 tp -64.89 141.33 58.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.268 -0.423 . . . . 75.4 110.91 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.2 mt 66.25 53.31 1.04 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 72.31 110.903 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -143.59 167.29 22.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 61.34 110.949 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -71.01 119.76 15.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.223 -0.444 . . . . 64.55 110.862 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.0 p -128.79 2.13 5.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.431 . . . . 71.42 110.871 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.2 t -58.1 -27.87 64.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 72.32 110.915 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -79.93 -20.36 45.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 71.5 110.886 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -161.54 115.99 1.98 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 75.23 110.89 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 50.7 mtm180 -84.98 -9.61 57.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 74.2 110.906 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -118.4 24.58 10.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 71.22 110.871 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -100.0 -26.83 13.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 72.04 110.878 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 48.6 m -51.89 131.96 31.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.49 . . . . 75.02 110.933 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -52.93 171.99 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 64.14 110.895 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.1 ttp180 -80.75 166.02 21.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 71.55 110.94 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -111.87 161.67 12.67 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.724 -0.751 . . . . 54.45 112.471 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.36 -35.31 37.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 73.41 110.892 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.7 mtt -117.14 -45.15 2.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 73.11 110.863 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -146.03 142.77 28.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 75.1 110.889 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.38 156.67 1.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 74.21 110.882 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -77.86 163.31 26.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 74.21 110.94 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.0 p -115.56 149.03 17.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.07 -0.514 . . . . 75.02 111.174 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 51.6 t -97.49 112.4 24.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 72.13 110.892 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -93.88 122.69 36.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 75.21 110.807 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.6 m -107.09 150.23 26.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 71.32 110.971 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -141.72 153.58 44.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 74.22 110.887 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -125.31 77.62 68.01 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.644 0.735 . . . . 71.32 110.937 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 75.9 1.15 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.729 2.286 . . . . 62.13 112.356 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 65.04 30.67 11.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.302 -0.408 . . . . 62.33 110.841 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -167.29 76.82 0.12 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.778 -0.725 . . . . 63.23 112.503 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -96.41 21.21 9.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.829 0.347 . . . . 64.2 110.914 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -110.16 -57.23 2.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.111 -0.495 . . . . 73.21 110.84 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.66 22.3 2.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 70.31 110.933 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -138.98 55.37 1.71 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 72.44 111.152 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -90.59 121.5 32.57 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.277 -0.419 . . . . 75.52 110.854 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 14.3 t -104.99 113.28 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 73.1 111.128 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 18.8 m -119.08 153.39 34.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 71.02 110.867 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.4 p -148.89 151.0 33.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 73.1 110.865 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 t -73.69 128.82 36.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 42.14 110.931 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -140.67 175.07 9.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 72.23 110.943 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -95.71 146.76 31.88 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.609 0.719 . . . . 63.22 110.889 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 171.0 15.25 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.661 2.241 . . . . 73.1 112.29 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.62 -28.23 65.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 73.41 110.861 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.0 m -68.84 -55.4 11.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 71.41 110.926 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -60.62 -39.05 86.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 71.31 110.895 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.1 mmtp -64.86 -64.31 0.9 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.156 -0.474 . . . . 62.25 110.882 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 54.5 mt -53.36 -42.74 49.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 63.31 111.142 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.18 -58.84 6.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 71.32 111.089 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -54.2 -37.42 64.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 71.55 110.897 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -62.17 -54.98 33.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 74.32 110.933 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 50.9 mt -55.87 -51.66 57.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 74.24 111.137 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 47.3 mm -57.38 -56.12 16.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.457 . . . . 70.44 111.145 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -51.95 -48.96 64.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.175 -0.466 . . . . 72.11 110.815 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -60.72 -35.93 77.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.192 -0.458 . . . . 63.32 110.813 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 51.11 111.104 179.909 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.81 0.338 . . . . 64.25 111.035 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.2 m -127.83 161.12 29.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.423 . . . . 73.21 110.855 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.679 HG23 ' HB3' ' A' ' 9' ' ' HIS . 94.4 m -113.14 78.87 3.36 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.643 0.735 . . . . 64.43 111.138 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -169.04 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.746 2.297 . . . . 74.41 112.335 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.625 HD12 ' O ' ' A' ' 44' ' ' CYS . 20.0 tp -58.22 150.43 21.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 75.4 110.953 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.537 ' H ' HD12 ' A' ' 7' ' ' LEU . 27.9 mt 59.73 61.03 2.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.215 -0.448 . . . . 72.31 110.898 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.679 ' HB3' HG23 ' A' ' 5' ' ' THR . 2.0 m-70 -144.86 168.08 21.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 61.34 110.888 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -77.59 119.22 20.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 64.55 110.932 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.9 p -130.14 3.27 4.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.419 . . . . 71.42 110.884 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.78 -39.45 71.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 72.32 110.918 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -80.79 -14.99 57.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 71.5 110.899 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -158.0 112.99 2.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 75.23 110.877 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -84.35 -18.94 34.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 74.2 110.867 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -107.52 24.75 12.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 71.22 110.811 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.2 p -87.07 -37.16 17.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 72.04 110.844 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 97.4 m -52.22 131.68 32.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 75.02 110.872 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 62.7 m -80.04 158.18 26.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 64.14 110.838 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -59.35 171.4 0.79 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 71.55 110.831 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -113.06 -154.87 11.72 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.669 -0.777 . . . . 54.45 112.452 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -79.51 -34.49 41.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.836 0.35 . . . . 73.41 110.912 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -120.11 -47.71 2.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.489 . . . . 73.11 110.863 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -131.91 163.02 29.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 75.1 110.811 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -83.72 145.36 28.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 74.21 110.918 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -72.23 165.65 24.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 74.21 110.925 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.7 p -125.93 148.91 30.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 75.02 111.079 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.2 t -93.34 118.32 31.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 72.13 110.915 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -96.07 155.6 16.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 75.21 110.863 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 85.3 m -138.29 138.37 38.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 71.32 110.817 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -145.32 172.83 12.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 74.22 110.837 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -140.47 153.92 68.92 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.642 0.734 . . . . 71.32 110.915 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 74.0 1.33 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.7 2.267 . . . . 62.13 112.322 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 56.52 24.5 8.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 62.33 110.861 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 174.69 124.66 0.81 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.727 -0.749 . . . . 63.23 112.477 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.5 pm0 -76.56 -7.47 55.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.88 0.371 . . . . 64.2 110.886 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -90.86 12.31 19.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 73.21 110.912 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.6 mmtp -112.28 -73.5 0.67 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 70.31 110.854 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.4 m -153.94 141.94 20.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.285 -0.416 . . . . 72.44 111.166 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -100.05 116.51 32.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 75.52 110.899 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 17.1 t -114.01 117.05 54.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 73.1 111.14 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 61.5 m -115.98 149.44 38.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 71.02 110.871 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.2 p -150.32 152.06 33.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 73.1 110.872 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.625 ' O ' HD12 ' A' ' 7' ' ' LEU . 1.8 t -67.59 128.17 35.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.088 -0.505 . . . . 42.14 110.88 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -140.97 169.28 17.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 72.23 110.948 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -95.2 146.79 31.94 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.647 0.736 . . . . 63.22 110.872 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 173.99 10.13 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.65 2.234 . . . . 73.1 112.388 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.2 -28.62 66.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 73.41 110.967 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.35 -58.88 3.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 71.41 110.845 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.57 -38.42 77.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 71.31 110.846 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.56 -62.93 1.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 62.25 110.851 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 49.8 mt -54.46 -48.15 69.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 63.31 111.114 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.12 -55.38 24.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 71.32 111.109 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -55.34 -43.52 75.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 71.55 110.917 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -55.83 -52.35 64.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 74.32 110.879 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 47.2 mm -58.77 -57.25 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 74.24 111.107 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 43.8 mm -52.1 -34.17 17.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 70.44 111.165 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -68.18 -59.94 2.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 72.11 110.899 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.5 mtmt -58.66 -25.29 62.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 63.32 110.919 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 51.11 111.054 179.863 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.792 0.329 . . . . 64.25 111.105 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.7 p -101.05 -174.49 2.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.421 . . . . 73.21 110.854 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 57.2 m -110.52 80.79 2.14 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.614 0.721 . . . . 64.43 111.15 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -168.84 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.69 2.26 . . . . 74.41 112.328 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.0 tp -65.08 136.43 56.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 75.4 110.89 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.1 mt 66.18 53.1 1.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 72.31 110.937 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -143.49 167.5 22.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 61.34 110.862 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -66.01 117.62 8.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 64.55 110.84 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.6 p -119.93 5.18 10.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 71.42 110.922 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.7 t -54.13 -45.7 72.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 72.32 110.825 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -96.06 15.82 19.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 71.5 110.883 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -154.53 101.4 2.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 75.23 110.884 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 -85.22 -68.04 0.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 74.2 110.841 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -94.58 26.86 3.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 71.22 110.909 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.25 -16.19 17.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 72.04 110.864 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.2 m -50.54 142.45 10.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 75.02 110.88 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -66.23 174.36 2.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 64.14 110.87 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.34 168.04 20.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 71.55 110.842 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -113.3 -150.62 10.68 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.72 -0.752 . . . . 54.45 112.495 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.62 -34.72 40.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.843 0.354 . . . . 73.41 110.894 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 5.1 mmt -127.25 -40.86 1.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 73.11 110.893 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -132.53 176.75 8.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 75.1 110.864 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -82.08 145.73 30.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 74.21 110.916 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -72.66 158.17 36.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.294 -0.412 . . . . 74.21 110.909 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.7 p -115.87 147.99 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 75.02 111.164 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 33.5 t -89.74 128.06 36.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 72.13 110.903 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -116.18 128.09 55.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 75.21 110.922 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 62.8 m -109.36 143.81 38.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 71.32 110.852 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -145.13 152.57 40.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 74.22 110.924 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -131.0 154.73 82.11 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.636 0.732 . . . . 71.32 110.951 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 74.54 1.29 Allowed 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.646 2.231 . . . . 62.13 112.342 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 57.05 23.9 8.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 62.33 110.898 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 165.02 149.19 5.74 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.699 -0.762 . . . . 63.23 112.471 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.5 pm0 -95.87 28.58 3.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.867 0.365 . . . . 64.2 110.943 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -110.16 15.99 22.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.119 -0.491 . . . . 73.21 110.876 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -128.2 -75.11 0.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 70.31 110.935 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.4 m -155.1 138.25 15.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 72.44 111.144 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.85 114.16 27.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 75.52 110.913 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 20.7 t -106.0 118.97 54.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 73.1 111.12 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.7 m -121.05 148.58 43.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 71.02 110.874 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.8 p -149.98 151.4 33.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 73.1 110.9 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 t -74.61 128.06 34.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 42.14 110.861 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -136.99 -176.82 4.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 72.23 110.891 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -95.13 145.18 29.07 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.589 0.709 . . . . 63.22 110.954 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 170.7 15.93 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.702 2.268 . . . . 73.1 112.373 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.35 -30.02 62.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 73.41 110.977 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.95 -56.85 8.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 71.41 110.854 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -57.89 -42.95 85.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 71.31 110.957 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.3 mttt -60.06 -61.16 2.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 62.25 110.934 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 42.5 mt -56.08 -45.81 80.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 63.31 111.149 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.58 -55.26 34.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.1 -0.5 . . . . 71.32 111.099 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -55.83 -44.0 77.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 71.55 110.919 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.1 mmtt -57.28 -46.55 83.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 74.32 110.835 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 37.3 mt -62.42 -55.39 24.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 74.24 111.055 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 43.7 mm -53.11 -41.79 43.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 70.44 111.154 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -62.31 -56.75 15.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 72.11 110.808 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.63 -25.54 66.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 63.32 110.971 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 51.11 111.06 179.835 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.883 0.373 . . . . 64.25 111.051 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 29.6 p -100.02 -174.16 2.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 73.21 110.818 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.1 m -109.6 82.98 2.42 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.569 0.7 . . . . 64.43 111.113 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -69.87 -172.06 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.647 2.231 . . . . 74.41 112.262 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.3 tp -65.37 143.24 57.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 75.4 110.888 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.5 mt 65.41 51.26 1.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 72.31 110.897 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -145.49 165.58 28.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 61.34 110.814 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -66.25 111.69 3.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 64.55 110.885 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.2 p -113.93 6.52 16.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 71.42 110.916 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.42 -48.47 56.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.098 -0.501 . . . . 72.32 110.904 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -94.28 18.35 11.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.076 -0.511 . . . . 71.5 110.869 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -150.3 98.22 2.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 75.23 110.846 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.5 mtm-85 -76.25 -74.51 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 74.2 110.925 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -100.95 28.4 5.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 71.22 110.83 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -96.18 -10.84 27.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 72.04 110.869 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.3 m -51.3 156.67 1.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 75.02 110.869 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.9 m -67.32 153.95 42.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 64.14 110.862 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -79.92 152.46 29.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 71.55 110.919 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -100.22 -171.33 29.67 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.759 -0.734 . . . . 54.45 112.513 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -77.08 -26.68 53.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.807 0.337 . . . . 73.41 110.868 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.8 mmt -118.48 -49.64 2.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.429 . . . . 73.11 110.924 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -146.33 142.27 28.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 75.1 110.865 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.94 164.33 0.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.49 . . . . 74.21 110.949 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -89.18 162.18 16.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 74.21 110.998 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.7 p -114.99 148.77 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 75.02 111.14 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 29.5 t -93.62 123.63 37.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 72.13 110.881 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -108.22 127.84 54.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.221 -0.445 . . . . 75.21 110.94 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 51.9 m -109.73 141.91 41.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 71.32 110.887 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -145.5 172.72 12.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 74.22 110.864 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -144.13 153.96 57.22 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.705 0.764 . . . . 71.32 110.916 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 74.33 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.746 2.297 . . . . 62.13 112.311 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 56.69 24.44 8.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 62.33 110.921 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 174.52 127.71 1.03 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.72 -0.753 . . . . 63.23 112.472 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -77.46 -5.74 51.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.833 0.349 . . . . 64.2 110.849 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.92 24.22 5.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 73.21 110.901 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.0 mttm -123.54 -74.76 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 70.31 110.881 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.5 m -151.55 132.61 14.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.247 -0.433 . . . . 72.44 111.155 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -91.87 111.06 22.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 75.52 110.92 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.1 t -112.82 115.07 48.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 73.1 111.067 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 16.6 m -116.14 152.14 34.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 71.02 110.919 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.3 p -150.07 146.08 26.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 73.1 110.942 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 t -70.83 131.18 43.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 42.14 110.839 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -143.34 177.83 8.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 72.23 110.869 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -95.3 146.51 31.44 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.601 0.715 . . . . 63.22 110.858 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 166.73 26.61 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.664 2.243 . . . . 73.1 112.369 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.5 -28.3 44.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 73.41 110.877 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.5 m -69.08 -57.26 5.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 71.41 110.844 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.14 -37.71 75.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 71.31 110.814 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt -65.36 -61.4 2.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 62.25 110.845 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 38.0 mt -55.73 -51.02 63.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 63.31 111.142 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.28 -50.96 66.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 71.32 111.068 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -57.86 -40.62 80.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.977 0.417 . . . . 71.55 110.91 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.74 -45.78 92.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.077 -0.51 . . . . 74.32 110.948 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 57.3 mt -61.95 -55.45 24.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 74.24 111.195 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 50.4 mm -55.54 -43.61 73.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 70.44 111.111 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.37 -47.87 80.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 72.11 110.934 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.55 -43.4 97.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 63.32 110.93 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 51.11 111.117 179.795 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.785 0.326 . . . . 64.25 111.127 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m -98.22 163.09 12.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 73.21 110.889 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.564 HG23 ' HB3' ' A' ' 9' ' ' HIS . 98.6 m -120.36 82.09 31.23 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.525 0.679 . . . . 64.43 111.137 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.83 -170.56 0.4 Allowed 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.625 2.217 . . . . 74.41 112.367 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.9 tp -61.2 147.34 44.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 75.4 110.875 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.8 mt 64.8 56.26 1.14 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 72.31 110.919 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.564 ' HB3' HG23 ' A' ' 5' ' ' THR . 3.8 m-70 -145.25 167.69 22.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 61.34 110.859 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -76.27 120.59 21.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 64.55 110.847 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.2 p -130.27 3.45 4.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 71.42 110.901 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.4 t -60.79 -24.49 65.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 72.32 110.816 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -79.73 -19.58 48.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.074 -0.512 . . . . 71.5 110.814 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -166.06 124.49 1.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 75.23 110.852 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.7 mtt180 -78.88 -16.33 57.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 74.2 110.853 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -108.79 27.84 9.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.487 . . . . 71.22 110.851 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.7 m -89.21 -40.06 13.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 72.04 110.864 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 83.5 m -52.52 131.63 34.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 75.02 110.909 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 50.5 m -80.5 170.05 16.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 64.14 110.867 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -80.2 157.16 26.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 71.55 110.883 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -116.4 148.46 18.88 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.742 -0.742 . . . . 54.45 112.531 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -51.74 -29.88 20.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.755 0.312 . . . . 73.41 110.855 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 17.1 mtm -100.62 -57.0 2.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 73.11 110.94 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -145.71 156.19 43.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 75.1 110.88 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.3 ttpt -84.75 143.51 29.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 74.21 110.879 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -90.54 148.27 22.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 74.21 110.923 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.568 HG22 ' H ' ' A' ' 28' ' ' CYS . 0.6 OUTLIER -120.2 176.4 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 75.02 111.163 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.568 ' H ' HG22 ' A' ' 27' ' ' VAL . 9.9 t -100.72 115.43 30.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 72.13 110.919 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.65 117.84 35.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 75.21 110.86 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 64.3 m -99.84 154.04 18.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 71.32 110.893 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -143.13 143.31 31.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 74.22 110.898 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -115.13 77.52 5.23 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.671 0.748 . . . . 71.32 110.945 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 76.59 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.689 2.259 . . . . 62.13 112.364 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 65.62 30.49 10.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 62.33 110.897 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -164.75 72.51 0.18 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.726 -0.75 . . . . 63.23 112.496 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -65.72 -62.34 1.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.881 0.372 . . . . 64.2 110.898 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.93 27.57 4.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.498 . . . . 73.21 110.823 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -122.66 -52.47 1.91 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.266 -0.425 . . . . 70.31 110.935 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -159.39 105.57 1.69 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 72.44 111.133 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -100.1 136.31 40.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 75.52 110.826 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.4 t -109.65 118.9 57.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 73.1 111.113 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 34.3 m -119.28 137.02 53.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 71.02 110.86 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.7 p -141.95 158.56 43.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 73.1 110.868 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 2.0 t -69.87 114.91 8.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 42.14 110.853 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -145.11 -179.92 6.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 72.23 110.888 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -89.23 141.67 29.34 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.552 0.692 . . . . 63.22 110.89 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 151.48 68.82 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.671 2.247 . . . . 73.1 112.327 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.68 -25.17 38.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 73.41 110.914 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.59 -53.15 24.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 71.41 110.872 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -66.29 -32.87 74.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.493 . . . . 71.31 110.869 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.667 ' HE2' HD13 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -69.81 -47.07 64.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 62.25 110.888 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.667 HD13 ' HE2' ' A' ' 51' ' ' LYS . 16.6 mm -63.47 -46.74 94.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 63.31 111.124 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.5 -53.34 57.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 71.32 111.103 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.92 -44.94 74.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 71.55 110.887 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.3 mptt -58.95 -52.43 65.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 74.32 110.925 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 22.8 mt -55.12 -57.83 6.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 74.24 111.116 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 43.4 mm -52.5 -51.55 33.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 70.44 111.133 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -52.37 -49.74 63.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 72.11 110.889 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.1 tptm -65.13 -31.29 72.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 63.32 110.887 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 51.11 111.154 179.826 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.861 0.363 . . . . 64.25 111.093 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.9 p -129.4 -174.11 3.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 73.21 110.906 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 26.3 m -109.19 84.0 2.62 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.618 0.723 . . . . 64.43 111.152 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -169.85 0.36 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.737 2.291 . . . . 74.41 112.267 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.487 HD12 ' H ' ' A' ' 8' ' ' LEU . 21.4 tp -65.7 146.28 54.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 75.4 110.929 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.487 ' H ' HD12 ' A' ' 7' ' ' LEU . 25.5 mt 59.19 52.91 5.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 72.31 110.917 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -144.13 166.21 25.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 61.34 110.897 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -65.14 106.55 1.32 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.292 -0.413 . . . . 64.55 110.831 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.7 p -107.1 2.53 25.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 71.42 110.948 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.8 t -51.6 -46.31 63.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 72.32 110.883 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 41.7 m-70 -94.01 13.29 23.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 71.5 110.826 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.406 ' HB3' ' HB2' ' A' ' 17' ' ' SER . 0.0 OUTLIER -154.8 92.72 1.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 75.23 110.925 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 70.3 mtm180 -75.76 -74.94 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 74.2 110.831 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -93.87 25.38 3.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 71.22 110.81 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.406 ' HB2' ' HB3' ' A' ' 14' ' ' ASP . 1.6 m -100.34 -8.64 23.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 72.04 110.835 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.4 m -50.79 157.43 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 75.02 110.886 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 17.4 m -66.89 152.77 45.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 64.14 110.882 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.1 ttp85 -79.83 149.55 30.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 71.55 110.912 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -98.8 -172.27 31.69 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.803 -0.713 . . . . 54.45 112.448 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -75.52 -29.2 59.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.829 0.347 . . . . 73.41 110.815 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -112.8 -52.44 2.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 73.11 110.829 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -145.98 147.86 32.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 75.1 110.835 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.3 pttt -52.41 166.51 0.18 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.093 -0.503 . . . . 74.21 110.871 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -89.68 159.23 17.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 74.21 110.938 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -115.42 138.82 44.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 75.02 111.14 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.1 t -87.38 132.95 33.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 72.13 110.935 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -119.83 131.33 55.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 75.21 110.897 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 25.2 m -108.33 153.9 22.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 71.32 110.874 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -145.14 160.28 41.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 74.22 110.896 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -132.74 78.97 65.28 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.686 0.755 . . . . 71.32 110.942 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 77.67 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.707 2.271 . . . . 62.13 112.355 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 63.04 30.89 16.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.3 -0.409 . . . . 62.33 110.881 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -164.44 65.39 0.23 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.783 -0.722 . . . . 63.23 112.544 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.1 -42.07 48.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.891 0.377 . . . . 64.2 110.875 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -95.56 14.19 23.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 73.21 110.897 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.93 -63.88 1.39 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 70.31 110.875 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -160.41 102.62 1.39 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 72.44 111.173 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.73 136.68 40.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 75.52 110.813 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.3 t -103.69 115.85 46.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 73.1 111.137 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 18.9 m -117.3 148.81 41.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 71.02 110.88 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.5 p -150.02 147.57 27.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 73.1 110.842 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.454 ' O ' HD12 ' A' ' 7' ' ' LEU . 1.8 t -70.67 132.9 46.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 42.14 110.957 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -140.19 173.7 11.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 72.23 110.896 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -94.98 144.89 28.56 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.686 0.755 . . . . 63.22 110.892 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.72 171.08 15.08 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.677 2.252 . . . . 73.1 112.413 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.09 -30.05 65.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.231 -0.441 . . . . 73.41 110.902 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.7 t -67.5 -55.87 11.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 71.41 110.795 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.24 -40.72 86.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 71.31 110.86 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.5 mtpt -61.96 -59.62 4.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 62.25 110.878 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 44.9 mt -57.22 -50.91 75.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 63.31 111.154 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.67 -51.22 63.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 71.32 111.09 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -57.4 -43.09 83.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 71.55 110.821 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.93 -52.79 64.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 74.32 110.896 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 50.0 mm -57.21 -48.32 82.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 74.24 111.05 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 38.1 mt -57.47 -46.62 85.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 70.44 111.169 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -60.86 -49.7 76.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 72.11 110.869 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.86 -29.97 71.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 63.32 110.916 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 51.11 111.137 179.836 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.891 0.377 . . . . 64.25 111.121 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 29.3 p -122.6 -174.08 2.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 73.21 110.917 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.5 m -109.69 83.08 2.53 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.715 0.769 . . . . 64.43 111.138 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -172.71 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.676 2.251 . . . . 74.41 112.355 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.415 HD21 ' OE1' ' A' ' 46' ' ' GLN . 7.1 tp -65.24 143.62 57.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 75.4 110.925 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.5 mt 66.05 51.01 1.36 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 72.31 110.933 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -145.3 165.17 29.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 61.34 110.844 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.43 109.35 3.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 64.55 110.866 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.0 p -110.27 9.56 23.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 71.42 110.928 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.57 -48.61 57.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 72.32 110.808 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -94.81 20.16 9.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 71.5 110.819 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -149.84 98.41 2.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 75.23 110.852 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 72.8 mtm180 -74.07 -74.12 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 74.2 110.93 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -104.02 24.45 11.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 71.22 110.88 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.7 m -89.71 -10.32 46.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 72.04 110.845 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.8 m -51.29 156.76 1.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.115 -0.493 . . . . 75.02 110.908 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.4 m -68.09 153.61 43.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 64.14 110.876 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.87 152.61 29.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 71.55 110.887 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -100.53 -173.83 29.65 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.715 -0.755 . . . . 54.45 112.561 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.13 -33.76 65.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.793 0.33 . . . . 73.41 110.877 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.6 mpt? -107.2 -52.41 2.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 73.11 110.879 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -143.58 165.98 26.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 75.1 110.819 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.13 159.53 33.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 74.21 110.843 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -86.05 166.17 16.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 74.21 110.906 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.6 p -117.23 148.66 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.068 -0.515 . . . . 75.02 111.085 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 31.0 t -96.29 116.29 28.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 72.13 110.878 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -95.75 154.47 17.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 75.21 110.842 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 72.1 m -139.98 138.2 35.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 71.32 110.877 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -145.5 177.06 9.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 74.22 110.93 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -143.87 153.61 57.66 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.675 0.75 . . . . 71.32 110.941 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 74.44 1.29 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.635 2.223 . . . . 62.13 112.328 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 56.89 24.22 9.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.279 -0.418 . . . . 62.33 110.779 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 173.22 127.34 0.97 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.716 -0.754 . . . . 63.23 112.402 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.05 -9.75 58.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.801 0.334 . . . . 64.2 110.856 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -86.33 4.95 36.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.128 -0.487 . . . . 73.21 110.864 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -104.15 -75.03 0.63 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 70.31 110.905 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 32.3 m -154.12 144.82 22.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 72.44 111.11 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -99.87 115.97 30.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 75.52 110.905 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.3 t -112.89 116.31 52.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 73.1 111.132 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 49.3 m -116.79 150.25 38.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 71.02 110.811 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.4 p -150.2 149.14 29.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 73.1 110.898 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 t -73.08 128.26 34.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 42.14 110.933 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -140.65 178.71 7.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.095 -0.502 . . . . 72.23 110.91 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.415 ' OE1' HD21 ' A' ' 7' ' ' LEU . 11.7 pm0 -95.54 146.96 32.25 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.592 0.71 . . . . 63.22 110.917 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 166.17 28.56 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.687 2.258 . . . . 73.1 112.3 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.04 -35.83 62.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 73.41 110.91 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.6 -52.2 64.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.288 -0.415 . . . . 71.41 110.939 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.3 -43.32 88.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 71.31 110.838 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt -58.44 -57.81 11.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 62.25 110.879 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 31.2 mt -53.1 -49.99 47.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.291 -0.413 . . . . 63.31 111.201 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.34 -53.48 44.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.084 -0.507 . . . . 71.32 111.022 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -55.44 -46.25 76.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 71.55 110.897 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.9 mtpp -56.95 -48.9 77.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 74.32 110.952 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 48.1 mt -58.03 -58.18 7.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 74.24 111.088 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 44.3 mm -51.66 -51.92 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 70.44 111.175 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -52.09 -49.93 62.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 72.11 110.9 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -58.19 -41.26 83.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 63.32 110.907 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 51.11 111.115 179.736 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.851 0.358 . . . . 64.25 111.049 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.37 -175.55 2.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 73.21 110.878 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 86.6 m -139.06 88.04 13.6 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.593 0.711 . . . . 64.43 111.097 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -172.61 0.59 Allowed 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.742 2.294 . . . . 74.41 112.331 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.3 tp -64.68 142.64 58.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 75.4 110.919 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.4 mt 66.09 53.16 1.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 72.31 110.927 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -143.66 167.49 22.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 61.34 110.892 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -74.21 120.79 20.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 64.55 110.849 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.9 p -132.81 6.23 3.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 71.42 110.84 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.6 t -58.09 -26.25 62.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 72.32 110.883 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -80.23 -20.06 45.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.088 -0.506 . . . . 71.5 110.846 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -164.29 120.85 1.61 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 75.23 110.818 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 66.2 mtp180 -85.09 -21.81 29.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 74.2 110.926 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -102.51 25.11 9.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 71.22 110.828 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 44.2 p -99.17 -30.97 11.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 72.04 110.893 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 54.3 m -52.11 133.21 33.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.13 -0.486 . . . . 75.02 110.873 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -52.71 171.89 0.05 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 64.14 110.849 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.72 167.92 19.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 71.55 110.82 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -113.86 164.43 12.06 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 54.45 112.481 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.82 -35.36 44.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.776 0.322 . . . . 73.41 110.852 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 7.1 mmt -118.54 -44.61 2.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.448 . . . . 73.11 110.919 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -144.56 142.35 30.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 75.1 110.869 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.72 157.75 0.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 74.21 110.944 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -75.73 163.98 26.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 74.21 110.97 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.9 p -116.0 148.94 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 75.02 111.141 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 47.5 t -99.95 112.58 24.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 72.13 110.912 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -91.39 152.77 20.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 75.21 110.833 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.8 m -135.03 151.17 50.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 71.32 110.904 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -145.14 155.46 43.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 74.22 110.9 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -126.71 77.82 73.62 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.705 0.764 . . . . 71.32 110.881 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 77.3 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.618 2.212 . . . . 62.13 112.303 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 65.75 30.22 10.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 62.33 110.947 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -169.32 76.28 0.11 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.769 -0.729 . . . . 63.23 112.495 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -92.77 -24.63 18.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.899 0.38 . . . . 64.2 110.862 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -108.59 26.19 10.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 73.21 110.878 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.1 ptpt -139.85 -49.62 0.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 70.31 110.926 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.6 m -161.91 115.8 1.87 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.296 -0.411 . . . . 72.44 111.121 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -96.21 131.92 42.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 75.52 110.818 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 13.0 t -95.83 112.21 27.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.117 -0.492 . . . . 73.1 111.096 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 44.2 m -117.45 150.5 38.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 71.02 110.911 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.9 p -148.89 154.24 39.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.193 -0.458 . . . . 73.1 110.848 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 t -73.75 129.59 38.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.081 -0.508 . . . . 42.14 110.868 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -143.52 173.43 11.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 72.23 110.908 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -95.28 147.15 32.56 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.622 0.725 . . . . 63.22 110.906 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 164.18 35.45 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.671 2.247 . . . . 73.1 112.32 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.63 -32.22 28.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 73.41 110.932 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.83 -58.32 5.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 71.41 110.848 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -57.13 -32.35 66.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.491 . . . . 71.31 110.813 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.05 -51.11 42.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 62.25 110.887 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 55.9 mt -60.62 -35.8 66.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 63.31 111.098 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.83 -55.26 13.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 71.32 111.111 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -59.89 -31.15 69.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 71.55 110.917 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -69.54 -58.83 3.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 74.32 110.919 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 46.7 mt -55.73 -45.59 79.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 74.24 111.206 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 39.4 mt -62.78 -48.58 87.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.073 -0.512 . . . . 70.44 111.137 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -57.37 -46.48 83.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.157 -0.474 . . . . 72.11 110.832 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.6 ttpp -61.84 -47.82 83.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 63.32 110.912 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 51.11 111.085 179.797 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.891 0.377 . . . . 64.25 111.033 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 30.5 p -103.86 -174.12 2.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 73.21 110.901 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.646 HG23 ' HB3' ' A' ' 9' ' ' HIS . 27.1 m -109.73 82.35 2.27 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.524 0.678 . . . . 64.43 111.074 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 -167.39 0.23 Allowed 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.693 2.262 . . . . 74.41 112.339 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.7 tp -62.26 140.72 58.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 75.4 110.93 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.1 mt 65.99 54.94 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 72.31 110.845 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.646 ' HB3' HG23 ' A' ' 5' ' ' THR . 5.2 m-70 -146.77 166.1 27.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.28 -0.418 . . . . 61.34 110.846 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -73.87 121.22 20.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 64.55 110.821 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.0 p -133.01 6.57 3.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 71.42 110.886 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.1 t -57.75 -23.33 51.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 72.32 110.893 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -80.25 -20.28 44.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.499 . . . . 71.5 110.88 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -165.49 123.57 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 75.23 110.881 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -85.13 -15.53 43.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 74.2 110.855 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -110.01 20.01 18.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 71.22 110.864 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.3 p -100.08 -22.25 15.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 72.04 110.854 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 m -51.91 156.56 1.47 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 75.02 110.856 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 12.8 m -68.58 156.68 37.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 64.14 110.877 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -80.22 156.44 26.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 71.55 110.948 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -105.02 -173.8 24.41 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.816 -0.707 . . . . 54.45 112.496 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -76.37 -23.49 54.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.769 0.319 . . . . 73.41 110.914 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -126.05 -45.98 1.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 73.11 110.865 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -145.91 140.99 27.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 75.1 110.914 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -53.9 155.53 3.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 74.21 111.003 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -70.6 161.73 30.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.29 -0.414 . . . . 74.21 110.959 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.2 m -112.2 140.0 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 75.02 111.133 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 39.0 t -89.05 109.65 20.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 72.13 110.889 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -89.88 155.9 18.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.473 . . . . 75.21 110.805 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 68.8 m -136.81 138.56 40.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 71.32 110.897 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -145.41 -178.9 6.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 74.22 110.9 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -143.57 153.95 59.16 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.689 0.757 . . . . 71.32 110.898 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.69 74.47 1.26 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.687 2.258 . . . . 62.13 112.36 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 53.1 28.59 7.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 62.33 110.867 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 177.06 124.98 0.87 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.694 -0.765 . . . . 63.23 112.409 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.02 -15.91 61.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.824 0.345 . . . . 64.2 110.838 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -94.7 38.68 1.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 73.21 110.926 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -132.96 -74.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 70.31 110.868 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 30.2 m -157.0 135.95 11.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.452 . . . . 72.44 111.113 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -93.31 112.49 24.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 75.52 110.905 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.2 t -112.55 119.79 61.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 73.1 111.061 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 57.1 m -113.9 151.11 32.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 71.02 110.827 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.3 p -148.47 154.74 40.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.089 -0.505 . . . . 73.1 110.82 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 t -73.13 125.54 27.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.515 . . . . 42.14 110.853 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -140.75 172.08 13.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 72.23 110.979 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -95.57 147.41 32.97 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.572 0.701 . . . . 63.22 110.921 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 145.48 57.18 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.649 2.233 . . . . 73.1 112.382 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.01 -19.11 60.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 73.41 110.928 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.15 -55.83 10.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 71.41 110.865 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.77 -34.11 73.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 71.31 110.81 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.03 -54.9 26.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 62.25 110.844 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.47 HG22 ' CD1' ' A' ' 56' ' ' ILE . 66.1 mt -65.11 -44.01 95.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 63.31 111.064 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.03 -50.64 73.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 71.32 111.057 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -61.02 -47.35 86.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 71.55 110.905 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp -54.56 -52.18 62.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 74.32 110.842 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.47 ' CD1' HG22 ' A' ' 52' ' ' ILE . 29.4 mt -57.26 -53.53 42.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 74.24 111.139 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 47.9 mt -56.46 -41.96 73.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 70.44 111.099 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -59.01 -60.42 3.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 72.11 110.88 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -61.39 -25.48 67.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 63.32 110.91 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 51.11 111.101 179.834 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.869 0.366 . . . . 64.25 111.099 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m -132.7 161.73 33.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 73.21 110.879 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.591 HG23 ' HB3' ' A' ' 9' ' ' HIS . 96.8 m -116.57 81.0 10.89 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.542 0.687 . . . . 64.43 111.181 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -168.43 0.28 Allowed 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.638 2.225 . . . . 74.41 112.355 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.672 HD12 ' O ' ' A' ' 44' ' ' CYS . 19.8 tp -60.88 150.52 32.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 75.4 110.939 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.517 ' H ' HD12 ' A' ' 7' ' ' LEU . 26.0 mt 59.94 58.3 2.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.142 -0.481 . . . . 72.31 110.906 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.591 ' HB3' HG23 ' A' ' 5' ' ' THR . 2.1 m-70 -145.6 167.75 22.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 61.34 110.855 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -77.35 118.7 20.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 64.55 110.843 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.9 p -132.14 6.53 4.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 71.42 110.856 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.5 t -61.0 -26.45 67.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.421 . . . . 72.32 110.891 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -79.84 -15.21 57.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 71.5 110.859 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -170.39 113.97 0.46 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.176 -0.465 . . . . 75.23 110.89 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.3 mtm180 -72.55 -14.52 61.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 74.2 110.832 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -107.37 24.45 12.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 71.22 110.832 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -87.22 -39.85 15.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 72.04 110.788 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 98.7 m -51.75 133.0 31.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 75.02 110.88 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 99.2 m -79.83 165.75 22.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 64.14 110.842 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -79.45 151.69 30.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 71.55 110.87 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -96.82 -159.32 31.59 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.756 -0.735 . . . . 54.45 112.53 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.57 -35.15 46.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.755 0.312 . . . . 73.41 110.867 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 43.7 mtt -99.91 -63.7 1.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 73.11 110.887 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -136.02 172.14 13.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 75.1 110.913 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -81.17 158.03 25.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.492 . . . . 74.21 110.93 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -88.47 164.28 15.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 74.21 110.899 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.1 p -119.15 149.79 21.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 75.02 111.151 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.5 t -95.18 113.06 24.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 72.13 110.867 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -90.34 153.5 20.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 75.21 110.871 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 93.7 m -138.96 138.56 37.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 71.32 110.871 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -145.34 175.7 10.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 74.22 110.906 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -143.89 153.6 57.6 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.666 0.746 . . . . 71.32 110.891 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 73.99 1.32 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.679 2.253 . . . . 62.13 112.352 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 56.63 24.35 8.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.48 . . . . 62.33 110.845 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 175.6 125.71 0.89 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.76 -0.733 . . . . 63.23 112.505 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -77.93 -7.04 56.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.867 0.365 . . . . 64.2 110.915 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -92.65 14.85 15.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 73.21 110.84 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -114.57 -74.62 0.61 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.256 -0.429 . . . . 70.31 110.865 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.5 m -151.35 140.57 21.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.212 -0.449 . . . . 72.44 111.11 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.58 114.32 27.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 75.52 110.859 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.6 t -112.08 116.55 52.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 73.1 111.19 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 59.7 m -116.67 150.61 37.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 71.02 110.909 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -150.28 153.54 36.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 73.1 110.917 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.672 ' O ' HD12 ' A' ' 7' ' ' LEU . 1.8 t -69.32 128.23 35.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 42.14 110.93 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -139.99 171.74 13.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 72.23 110.945 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -95.56 147.24 32.69 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.6 0.714 . . . . 63.22 110.923 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 166.11 28.7 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.684 2.256 . . . . 73.1 112.357 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.47 -36.82 62.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 73.41 110.933 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.7 -51.2 68.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 71.41 110.853 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -59.35 -40.24 85.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.101 -0.499 . . . . 71.31 110.871 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.14 -48.5 79.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 62.25 110.936 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.585 HG22 HD11 ' A' ' 56' ' ' ILE . 32.3 mm -62.47 -59.4 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 63.31 111.199 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.588 ' HA ' HD12 ' A' ' 56' ' ' ILE . . . -52.58 -35.71 54.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 71.32 111.078 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -65.8 -51.78 56.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 71.55 110.863 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.8 ptmt -61.31 -30.96 70.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 74.32 110.893 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.588 HD12 ' HA ' ' A' ' 53' ' ' ALA . 34.2 mt -70.58 -60.26 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 74.24 111.142 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 42.0 mm -55.89 -42.44 70.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.264 -0.425 . . . . 70.44 111.141 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -64.52 -53.12 53.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 72.11 110.891 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -60.71 -28.2 68.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 63.32 110.938 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 51.11 111.012 179.9 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.782 0.325 . . . . 64.25 111.1 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 30.5 p -121.1 -174.26 2.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 73.21 110.876 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.4 m -109.56 82.84 2.34 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.543 0.687 . . . . 64.43 111.139 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -171.47 0.47 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.635 2.223 . . . . 74.41 112.378 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.3 tp -65.42 142.06 58.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 75.4 110.875 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.6 mt 66.2 50.93 1.31 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 72.31 110.932 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -144.52 165.34 28.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 61.34 110.879 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.34 115.73 6.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.426 . . . . 64.55 110.853 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.1 p -119.28 8.2 11.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 71.42 110.878 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.67 -46.68 58.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 72.32 110.804 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 35.5 m170 -96.58 20.32 10.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 71.5 110.817 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -149.57 101.39 3.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 75.23 110.889 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 73.8 mtm180 -77.22 -69.74 0.51 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 74.2 110.854 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -106.67 26.2 10.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 71.22 110.908 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.94 -11.84 37.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 72.04 110.789 -179.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.7 m -51.64 156.64 1.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 75.02 110.952 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 13.0 m -68.32 151.37 47.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 64.14 110.818 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -80.27 152.02 29.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 71.55 110.901 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -99.88 -171.64 30.14 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.83 -0.7 . . . . 54.45 112.505 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -73.71 -35.13 65.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.737 0.303 . . . . 73.41 110.817 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -104.04 -51.44 3.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 73.11 110.935 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -145.83 172.47 13.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.463 . . . . 75.1 110.899 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.28 159.18 30.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 74.21 110.874 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -84.81 167.44 16.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 74.21 110.926 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.1 p -117.0 149.58 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 75.02 111.15 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 29.4 t -97.87 120.54 38.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 72.13 110.877 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.62 156.03 17.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 75.21 110.841 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 55.7 m -136.19 135.79 39.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 71.32 110.92 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -145.6 -175.85 4.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 74.22 110.899 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -144.19 153.08 55.89 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.643 0.735 . . . . 71.32 110.925 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 74.97 1.24 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.672 2.248 . . . . 62.13 112.31 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 59.25 23.52 11.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.423 . . . . 62.33 110.887 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 169.78 131.82 1.37 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.755 -0.736 . . . . 63.23 112.547 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -95.1 28.22 2.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.868 0.366 . . . . 64.2 110.888 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -110.32 25.4 11.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 73.21 110.841 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.55 -62.1 0.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 70.31 110.907 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.1 m -161.63 148.87 14.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 72.44 111.132 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -100.39 121.72 41.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.217 -0.447 . . . . 75.52 110.935 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 14.2 t -105.57 113.87 43.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 73.1 111.109 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 48.5 m -110.62 150.35 29.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 71.02 110.845 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.4 p -150.18 150.3 31.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 73.1 110.879 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 t -72.47 129.98 39.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 42.14 110.93 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -140.9 174.63 10.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 72.23 110.931 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -94.66 146.3 31.19 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.58 0.705 . . . . 63.22 110.944 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.85 168.09 22.66 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.671 2.247 . . . . 73.1 112.298 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.99 -41.0 82.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 73.41 110.902 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 51.4 p -63.5 -37.6 87.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 71.41 110.851 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -65.79 -56.58 11.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 71.31 110.892 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -57.93 -45.04 87.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 62.25 110.829 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 25.7 mm -64.56 -50.64 74.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 63.31 111.131 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.63 -51.09 61.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 71.32 111.09 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.99 -44.96 95.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 71.55 110.858 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.03 -50.12 67.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 74.32 110.88 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 43.0 mm -62.88 -54.28 35.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 74.24 111.117 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 30.9 mt -51.94 -41.33 30.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.451 . . . . 70.44 111.15 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -67.64 -43.75 79.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.186 -0.461 . . . . 72.11 110.896 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.83 -32.54 74.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 63.32 110.882 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.293 -0.412 . . . . 51.11 111.058 179.821 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.829 0.347 . . . . 64.25 111.058 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m -117.85 160.66 21.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 73.21 110.907 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.6 HG23 ' HB3' ' A' ' 9' ' ' HIS . 98.0 m -114.57 80.22 6.08 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.583 0.706 . . . . 64.43 111.152 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -168.34 0.27 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.679 2.253 . . . . 74.41 112.342 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.661 HD12 ' O ' ' A' ' 44' ' ' CYS . 20.1 tp -60.67 150.1 33.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 75.4 110.941 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.527 ' H ' HD12 ' A' ' 7' ' ' LEU . 26.5 mt 59.95 58.64 2.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 72.31 110.89 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.6 ' HB3' HG23 ' A' ' 5' ' ' THR . 2.1 m-70 -144.96 167.56 22.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 61.34 110.895 179.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -78.0 119.44 21.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 64.55 110.855 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.9 p -133.07 6.43 3.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 71.42 110.815 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.9 t -59.73 -26.06 65.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 72.32 110.843 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -79.72 -19.83 47.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 71.5 110.878 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -165.87 116.0 1.02 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 75.23 110.883 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 31.8 mtm-85 -71.82 -19.95 61.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 74.2 110.9 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -102.02 24.64 9.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 71.22 110.844 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -84.58 -41.32 16.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.203 -0.453 . . . . 72.04 110.85 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 88.3 m -51.78 133.65 31.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 75.02 110.904 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 92.8 m -79.72 164.42 23.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 64.14 110.828 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -80.0 150.17 30.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 71.55 110.868 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -97.85 -164.77 31.48 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.702 -0.761 . . . . 54.45 112.459 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -79.94 -29.16 39.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.736 0.303 . . . . 73.41 110.837 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -105.18 -61.36 1.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 73.11 110.834 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -146.23 139.45 25.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 75.1 110.881 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.02 160.76 2.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 74.21 110.879 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -90.45 167.5 12.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 74.21 110.892 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.7 p -121.71 148.43 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.088 -0.506 . . . . 75.02 111.097 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.5 t -91.9 112.69 24.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 72.13 110.873 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -90.43 154.9 19.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 75.21 110.853 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 87.1 m -140.0 139.77 36.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 71.32 110.918 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -145.27 175.41 10.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 74.22 110.866 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -144.38 153.96 56.34 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.684 0.754 . . . . 71.32 110.917 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 75.08 1.23 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.669 2.246 . . . . 62.13 112.351 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 55.71 26.93 9.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.244 -0.434 . . . . 62.33 110.92 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 169.54 132.45 1.45 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.736 -0.745 . . . . 63.23 112.464 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -80.99 -1.02 42.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.796 0.332 . . . . 64.2 110.879 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -96.74 25.39 5.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.177 -0.465 . . . . 73.21 110.859 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.8 mptt -127.79 -75.17 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 70.31 110.893 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.1 m -151.63 139.86 20.31 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.227 -0.442 . . . . 72.44 111.037 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.02 111.41 23.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 75.52 110.901 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 20.0 t -108.05 118.55 55.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 73.1 111.071 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 62.6 m -119.0 148.48 42.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 71.02 110.89 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.4 p -150.35 154.39 37.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 73.1 110.901 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.661 ' O ' HD12 ' A' ' 7' ' ' LEU . 1.8 t -69.28 127.49 33.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 42.14 110.872 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -140.81 171.41 14.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 72.23 110.932 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -95.22 145.16 29.05 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.589 0.709 . . . . 63.22 110.969 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.65 144.41 54.52 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.696 2.264 . . . . 73.1 112.366 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.467 ' HE2' HD11 ' A' ' 52' ' ' ILE . 0.1 OUTLIER -59.84 -19.66 52.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 73.41 110.871 179.888 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.26 -58.9 3.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 71.41 110.852 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -35.54 80.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 71.31 110.94 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.0 mtpt -63.7 -62.68 1.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 62.25 110.904 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.467 HD11 ' HE2' ' A' ' 48' ' ' LYS . 50.6 mt -56.27 -52.35 52.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.246 -0.434 . . . . 63.31 111.122 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.73 -44.44 66.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.487 . . . . 71.32 111.151 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -65.59 -34.74 78.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 71.55 110.899 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.25 -33.8 67.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 74.32 110.888 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 97.3 mt -72.21 -47.44 53.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 74.24 111.123 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 49.6 mm -68.34 -41.52 83.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 70.44 111.13 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -66.41 -52.09 50.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.091 -0.504 . . . . 72.11 110.876 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.62 -40.34 94.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 63.32 110.824 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.276 -0.42 . . . . 51.11 111.112 179.887 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.854 0.359 . . . . 64.25 111.084 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.9 p -95.7 -173.91 3.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 73.21 110.901 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.659 HG23 ' HB3' ' A' ' 9' ' ' HIS . 30.7 m -110.23 80.71 1.98 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.564 0.697 . . . . 64.43 111.038 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -166.76 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.672 2.248 . . . . 74.41 112.339 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.57 HD21 HE21 ' A' ' 46' ' ' GLN . 15.1 tp -62.48 137.96 58.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 75.4 110.894 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.8 mt 66.85 56.2 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 72.31 110.919 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.659 ' HB3' HG23 ' A' ' 5' ' ' THR . 2.7 m-70 -145.12 168.42 20.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 61.34 110.874 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -79.76 121.09 24.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 64.55 110.907 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.4 p -123.88 8.71 8.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.284 -0.416 . . . . 71.42 110.872 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.6 t -58.3 -29.02 65.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 72.32 110.893 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 20.7 m-70 -79.59 -20.48 46.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 71.5 110.82 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -162.75 114.46 1.55 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 75.23 110.933 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.1 mtm180 -85.23 -4.81 59.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 74.2 110.867 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.4 m170 -120.77 17.66 11.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 71.22 110.817 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.4 m -100.36 -20.46 15.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 72.04 110.962 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 m -51.77 141.92 16.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.049 -0.523 . . . . 75.02 110.868 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -70.55 176.34 4.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 64.14 110.917 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.6 ttp180 -80.09 177.86 8.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 71.55 110.846 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -119.92 -175.48 15.73 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.815 -0.707 . . . . 54.45 112.459 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -71.35 -34.4 70.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.805 0.335 . . . . 73.41 110.87 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.5 mmt -119.42 -38.78 2.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 73.11 110.95 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -145.72 150.29 35.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 75.1 110.875 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -52.64 155.07 2.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 74.21 110.881 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -78.47 160.42 27.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 74.21 110.874 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.0 p -121.98 149.32 25.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.082 -0.508 . . . . 75.02 111.143 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 35.1 t -96.4 108.32 20.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 72.13 110.921 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -102.13 139.36 37.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.436 . . . . 75.21 110.876 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 57.4 m -123.16 128.06 49.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 71.32 110.883 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -145.75 149.86 35.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 74.22 110.906 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -84.2 153.12 62.57 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.672 0.749 . . . . 71.32 110.887 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 71.13 1.52 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.689 2.259 . . . . 62.13 112.364 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 50.87 29.7 4.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 62.33 110.886 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.66 145.09 4.44 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.677 -0.773 . . . . 63.23 112.47 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -83.93 70.21 10.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.871 0.367 . . . . 64.2 110.886 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.71 -72.09 0.19 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 73.21 110.906 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.55 -48.07 1.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 70.31 110.871 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.441 HG22 ' H ' ' A' ' 40' ' ' GLU . 0.4 OUTLIER -161.0 167.88 25.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 72.44 111.164 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.441 ' H ' HG22 ' A' ' 39' ' ' THR . 19.8 pt-20 -91.18 150.0 21.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 75.52 110.868 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 26.2 t -95.82 127.18 48.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 73.1 111.097 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 81.5 m -96.31 132.87 41.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 71.02 110.805 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.5 p -140.27 157.71 45.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 73.1 110.885 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.6 t -80.31 121.18 25.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 42.14 110.909 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -130.44 -177.62 4.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 72.23 110.907 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.57 HE21 HD21 ' A' ' 7' ' ' LEU . 3.6 mp0 -94.09 154.92 40.54 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.592 0.71 . . . . 63.22 110.981 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 173.9 10.34 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.711 2.274 . . . . 73.1 112.323 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.31 -22.64 53.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 73.41 110.93 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.2 -56.21 4.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 71.41 110.837 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.96 -30.12 68.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 71.31 110.851 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.75 -55.12 8.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 62.25 110.836 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 77.9 mt -62.22 -44.02 98.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 63.31 111.116 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.67 -52.59 63.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 71.32 111.085 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -57.89 -40.34 80.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 71.55 110.836 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -60.63 -56.53 20.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 74.32 110.91 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 39.6 mm -55.03 -56.31 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 74.24 111.144 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 40.2 mm -53.89 -46.53 64.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 70.44 111.165 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -56.25 -53.83 52.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 72.11 110.877 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.1 ttmt -64.92 -23.44 67.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 63.32 110.872 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.421 . . . . 51.11 111.127 179.818 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.786 0.327 . . . . 64.25 111.086 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.2 m -100.48 161.8 13.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 73.21 110.875 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.609 HG23 ' HB3' ' A' ' 9' ' ' HIS . 97.6 m -114.88 80.09 6.4 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.63 0.729 . . . . 64.43 111.136 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -169.97 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.652 2.235 . . . . 74.41 112.318 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.698 HD12 ' O ' ' A' ' 44' ' ' CYS . 25.2 tp -59.03 150.76 23.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 75.4 110.938 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.432 ' H ' HD12 ' A' ' 7' ' ' LEU . 27.6 mt 59.9 59.87 2.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 72.31 110.882 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.609 ' HB3' HG23 ' A' ' 5' ' ' THR . 2.0 m-70 -145.32 168.35 20.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 61.34 110.815 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -78.59 118.01 20.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 64.55 110.857 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.5 p -126.83 1.39 6.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 71.42 110.875 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.4 t -57.6 -28.85 64.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 72.32 110.803 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 46.8 m170 -80.24 -20.24 45.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 71.5 110.821 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -160.7 120.17 2.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.423 . . . . 75.23 110.877 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 74.6 mtm180 -78.22 -19.39 53.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.458 . . . . 74.2 110.85 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.2 m-70 -108.16 26.75 10.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 71.22 110.855 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.2 p -84.38 -41.25 16.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 72.04 110.798 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 91.7 m -52.06 132.78 33.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 75.02 110.916 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 71.8 m -80.38 161.12 25.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 64.14 110.899 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.6 ttp180 -80.1 152.87 29.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.46 . . . . 71.55 110.911 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -114.07 140.39 16.3 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.79 -0.719 . . . . 54.45 112.505 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.75 -26.96 15.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.8 0.333 . . . . 73.41 110.862 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 51.1 mtm -103.01 -50.86 3.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 73.11 110.934 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -148.07 145.13 28.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 75.1 110.855 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -90.09 142.17 27.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 74.21 110.89 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -91.13 137.09 32.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 74.21 110.936 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.48 HG22 ' HD3' ' A' ' 47' ' ' PRO . 1.5 m -117.42 150.81 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 75.02 111.096 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 34.5 t -77.1 126.31 30.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 72.13 110.897 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -119.79 127.77 53.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 75.21 110.876 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 76.2 m -107.35 140.77 39.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 71.32 110.905 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -145.96 176.96 9.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.462 . . . . 74.22 110.945 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -138.25 151.94 70.57 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.674 0.75 . . . . 71.32 110.949 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.73 -0.79 7.39 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.695 2.264 . . . . 62.13 112.392 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 76.06 34.0 0.55 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 62.33 110.943 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -164.06 -34.62 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 63.23 112.486 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -101.8 79.18 1.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.818 0.342 . . . . 64.2 110.811 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -67.85 -10.59 54.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 73.21 110.823 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -98.96 19.77 14.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 70.31 110.921 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -159.75 104.08 1.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 72.44 111.201 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.8 135.6 40.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 75.52 110.908 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.7 t -106.38 115.14 47.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 73.1 111.102 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 34.3 m -108.67 141.28 40.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 71.02 110.908 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 74.8 p -149.01 157.39 43.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 73.1 110.917 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.698 ' O ' HD12 ' A' ' 7' ' ' LEU . 1.7 t -68.92 121.17 16.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 42.14 110.901 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -142.99 169.4 17.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 72.23 110.959 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -87.07 146.02 39.5 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.631 0.729 . . . . 63.22 110.87 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.48 ' HD3' HG22 ' A' ' 27' ' ' VAL . 54.1 Cg_endo -69.74 145.7 58.08 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.681 2.254 . . . . 73.1 112.384 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.24 -30.44 50.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.421 . . . . 73.41 110.836 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.01 -56.92 11.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.286 -0.415 . . . . 71.41 110.853 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 56.7 m170 -62.89 -30.81 71.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 71.31 110.915 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -64.52 -58.94 4.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 62.25 110.914 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.627 HG22 HD11 ' A' ' 56' ' ' ILE . 62.7 mt -60.15 -45.15 96.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 63.31 111.173 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.54 -52.35 63.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 71.32 111.127 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.92 -46.55 88.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 71.55 110.903 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.8 mmtm -55.89 -50.69 69.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 74.32 110.926 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.627 HD11 HG22 ' A' ' 52' ' ' ILE . 27.0 mt -58.25 -55.01 24.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 74.24 111.119 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 38.2 mt -52.28 -51.57 31.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.46 . . . . 70.44 111.119 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -58.35 -47.36 84.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.221 -0.445 . . . . 72.11 110.877 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -60.48 -32.08 71.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 63.32 110.9 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 51.11 111.119 179.813 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.826 0.346 . . . . 64.25 111.103 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.6 p -147.44 -174.08 4.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 73.21 110.869 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.9 m -109.43 83.26 2.44 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.549 0.69 . . . . 64.43 111.175 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -170.79 0.41 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.658 2.239 . . . . 74.41 112.351 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.1 tp -64.84 141.95 58.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 75.4 110.955 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.5 mt 65.81 52.02 1.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 72.31 110.932 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -144.85 165.64 27.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 61.34 110.8 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -67.51 103.77 1.41 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 64.55 110.808 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.8 p -104.59 5.25 33.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 71.42 110.931 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.0 t -50.44 -47.3 56.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 72.32 110.85 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -96.04 18.89 12.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 71.5 110.889 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -150.05 94.84 2.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 75.23 110.89 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.6 mtp85 -76.29 -70.46 0.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 74.2 110.85 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -102.08 25.51 8.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 71.22 110.83 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -97.03 -11.9 23.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.315 -0.402 . . . . 72.04 110.846 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.7 m -51.04 151.7 2.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.068 -0.515 . . . . 75.02 110.925 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 20.0 m -64.96 158.02 26.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 64.14 110.875 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -79.98 153.62 28.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 71.55 110.879 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -99.24 -175.7 31.6 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.715 -0.755 . . . . 54.45 112.453 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.96 -24.58 59.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.825 0.345 . . . . 73.41 110.843 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.4 -45.46 1.66 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 73.11 110.899 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -135.87 164.04 28.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 75.1 110.824 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.77 142.23 37.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.496 . . . . 74.21 110.906 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -70.42 145.54 50.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 74.21 110.925 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.4 p -106.97 150.14 9.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.09 -0.504 . . . . 75.02 111.141 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 28.9 t -91.6 125.09 36.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 72.13 110.848 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -107.99 119.83 40.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.481 . . . . 75.21 110.885 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 14.9 m -102.49 143.06 32.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 71.32 110.858 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -145.53 166.53 25.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 74.22 110.842 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -144.05 154.95 58.75 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.758 0.79 . . . . 71.32 110.88 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 74.4 1.32 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.684 2.256 . . . . 62.13 112.287 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 54.65 26.52 7.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 62.33 110.873 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 171.71 142.15 3.61 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.674 -0.774 . . . . 63.23 112.412 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -91.09 14.19 14.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.836 0.35 . . . . 64.2 110.849 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.1 34.12 4.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 73.21 110.815 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -138.51 -75.05 0.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 70.31 110.897 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.1 m -152.08 139.15 19.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.244 -0.435 . . . . 72.44 111.141 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -97.12 108.66 21.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 75.52 110.863 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 14.7 t -107.89 113.47 43.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 73.1 111.129 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 17.5 m -118.72 152.85 35.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 71.02 110.853 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.3 p -149.91 142.37 24.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 73.1 110.835 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 t -68.58 134.22 49.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.082 -0.508 . . . . 42.14 110.895 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -141.39 -179.32 6.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 72.23 110.884 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -95.08 145.39 29.45 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.574 0.702 . . . . 63.22 110.958 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 168.18 22.31 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.683 2.255 . . . . 73.1 112.317 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -52.8 -30.37 32.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 73.41 110.853 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.68 -61.09 2.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.287 -0.415 . . . . 71.41 110.853 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -54.65 -38.0 66.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.081 -0.509 . . . . 71.31 110.816 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -63.5 -65.32 0.7 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.325 -0.398 . . . . 62.25 110.866 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 40.5 mm -54.53 -51.24 51.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 63.31 111.157 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.49 -51.83 51.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 71.32 111.098 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.58 -46.75 80.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 71.55 110.898 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.58 -49.99 69.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 74.32 110.886 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 49.6 mm -59.78 -58.31 7.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 74.24 111.118 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 46.1 mm -53.61 -36.14 27.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 70.44 111.123 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -65.34 -49.23 70.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 72.11 110.899 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.39 -37.64 86.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 63.32 110.918 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 51.11 111.054 179.871 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.854 0.359 . . . . 64.25 111.097 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 32.1 p -107.06 -174.16 2.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 73.21 110.897 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.693 HG23 ' HB3' ' A' ' 9' ' ' HIS . 32.4 m -109.79 82.1 2.23 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.562 0.696 . . . . 64.43 111.163 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 -168.84 0.29 Allowed 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 122.655 2.237 . . . . 74.41 112.343 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.4 tp -60.85 141.48 57.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 75.4 110.888 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.7 mt 66.65 56.84 0.71 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 72.31 110.95 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.693 ' HB3' HG23 ' A' ' 5' ' ' THR . 5.6 m-70 -147.19 165.94 28.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 61.34 110.851 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -77.11 119.8 21.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.186 -0.461 . . . . 64.55 110.848 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.8 p -133.29 5.6 3.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 71.42 110.881 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.01 -37.63 64.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 72.32 110.866 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -79.3 -20.48 47.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 71.5 110.865 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -154.35 106.66 2.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 75.23 110.861 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.4 mtp180 -84.74 -26.87 27.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 74.2 110.935 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -93.7 16.81 13.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 71.22 110.8 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 85.4 p -100.52 -19.09 16.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 72.04 110.863 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.7 m -51.59 154.94 1.72 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.087 -0.506 . . . . 75.02 110.879 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 10.5 m -69.63 153.42 43.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 64.14 110.913 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.53 170.2 15.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 71.55 110.905 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -116.48 -178.81 18.05 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.706 -0.759 . . . . 54.45 112.543 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.96 -34.63 76.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.776 0.322 . . . . 73.41 110.917 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -123.0 -36.4 2.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 73.11 110.86 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -145.61 138.09 25.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 75.1 110.88 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt -53.19 162.18 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 74.21 110.892 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -75.17 175.32 8.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 74.21 110.889 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.7 p -130.77 148.48 33.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 75.02 111.154 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.8 t -97.97 112.35 24.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 72.13 110.888 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -91.87 123.94 35.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 75.21 110.893 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 38.5 m -104.76 152.43 22.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 71.32 110.864 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -145.24 148.49 33.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 74.22 110.817 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -118.35 77.44 13.42 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.705 0.764 . . . . 71.32 110.926 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 76.42 1.11 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.709 2.272 . . . . 62.13 112.375 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 65.38 30.55 10.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 62.33 110.924 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -164.66 72.58 0.18 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 63.23 112.488 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -69.08 -61.39 1.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.885 0.374 . . . . 64.2 110.882 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -95.44 22.09 7.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.488 . . . . 73.21 110.808 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.7 mttp -117.22 -53.16 2.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 70.31 110.879 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -159.81 103.71 1.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 72.44 111.16 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -88.39 125.51 34.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 75.52 110.852 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 15.1 t -101.97 114.25 40.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.151 -0.477 . . . . 73.1 111.124 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 24.1 m -119.36 152.57 36.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 71.02 110.872 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.7 p -150.01 149.61 30.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 73.1 110.888 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 t -68.78 126.18 28.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 42.14 110.967 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -136.61 169.78 17.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 72.23 110.941 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -88.11 134.47 34.89 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.611 0.719 . . . . 63.22 110.883 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 145.07 55.87 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.647 2.231 . . . . 73.1 112.359 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -59.36 -19.66 48.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 73.41 110.85 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.29 -61.94 1.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 71.41 110.823 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.83 -36.41 83.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.185 -0.462 . . . . 71.31 110.885 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -63.6 1.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 62.25 110.871 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 40.4 mm -58.24 -30.07 38.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 63.31 111.092 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.38 -60.97 2.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 71.32 111.097 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.51 -29.39 69.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 71.55 110.864 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.7 mptt -65.76 -51.63 57.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.175 -0.466 . . . . 74.32 110.902 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 50.5 mt -64.88 -52.17 57.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 74.24 111.185 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 40.6 mm -54.74 -45.56 73.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.106 -0.497 . . . . 70.44 111.144 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -62.96 -57.77 9.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 72.11 110.888 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.43 -27.18 46.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 63.32 110.895 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 51.11 111.074 179.839 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.805 0.336 . . . . 64.25 111.131 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m -93.9 156.11 16.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 73.21 110.861 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.559 HG23 ' HB3' ' A' ' 9' ' ' HIS . 93.3 m -114.73 79.55 5.83 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.607 0.718 . . . . 64.43 111.108 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -170.6 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.692 2.262 . . . . 74.41 112.359 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.7 tp -59.96 149.0 33.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 75.4 110.962 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.7 mt 65.78 55.13 1.0 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.235 -0.439 . . . . 72.31 110.935 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.559 ' HB3' HG23 ' A' ' 5' ' ' THR . 4.6 m-70 -145.63 165.93 27.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 61.34 110.889 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -80.0 114.24 18.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 64.55 110.923 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.0 p -120.64 8.34 10.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 71.42 110.909 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.8 t -59.65 -26.2 65.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 72.32 110.869 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 21.3 m-70 -79.89 -20.09 46.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 71.5 110.878 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -162.96 122.23 2.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 75.23 110.851 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.33 -13.56 58.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 74.2 110.921 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -116.17 28.21 8.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 71.22 110.921 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.7 p -92.42 -35.63 13.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 72.04 110.853 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 63.3 m -51.46 133.01 30.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 75.02 110.825 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 55.1 m -80.22 177.14 9.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 64.14 110.885 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.8 ttp180 -73.66 153.24 40.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 71.55 110.83 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -96.59 -161.77 32.45 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.773 -0.727 . . . . 54.45 112.456 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -80.02 -34.75 38.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.372 . . . . 73.41 110.89 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 46.9 mtt -118.31 -40.49 2.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 73.11 110.915 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -144.17 155.0 43.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 75.1 110.889 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.86 158.18 33.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 74.21 110.909 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -89.89 162.24 15.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 74.21 110.938 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.1 p -128.9 149.65 33.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.479 . . . . 75.02 111.124 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.6 t -88.38 122.15 31.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 72.13 110.889 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -119.69 138.11 53.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 75.21 110.898 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 33.5 m -118.23 134.22 55.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 71.32 110.952 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -145.26 -177.23 5.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 74.22 110.863 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.438 ' HB3' ' HD2' ' A' ' 33' ' ' PRO . 1.5 m-85 -110.59 157.16 39.12 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.674 0.75 . . . . 71.32 110.956 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.438 ' HD2' ' HB3' ' A' ' 32' ' ' TYR . 54.5 Cg_endo -69.72 -2.47 10.2 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.707 2.271 . . . . 62.13 112.396 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 75.69 31.53 0.73 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 62.33 110.9 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -178.48 -57.9 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.732 -0.747 . . . . 63.23 112.49 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -99.94 70.6 1.61 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.859 0.362 . . . . 64.2 110.869 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -76.52 60.14 1.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 73.21 110.855 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.2 mttt -100.3 -17.08 17.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 70.31 110.885 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -159.88 106.79 1.64 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 72.44 111.129 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -51.69 124.86 13.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 75.52 110.906 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 22.1 t -95.07 120.2 44.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.494 . . . . 73.1 111.157 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 62.6 m -102.87 132.59 48.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 71.02 110.86 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 p -139.02 155.74 47.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 73.1 110.877 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 t -73.75 116.32 14.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 42.14 110.852 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -118.56 177.77 4.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 72.23 110.845 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -87.89 156.8 52.3 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.615 0.721 . . . . 63.22 110.83 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 172.48 12.55 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.699 2.266 . . . . 73.1 112.351 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -58.67 -21.68 54.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 73.41 110.934 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 16.1 m -75.82 -53.54 8.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 71.41 110.823 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -64.05 -34.45 78.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 71.31 110.881 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.33 -58.59 3.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 62.25 110.905 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 27.1 mm -55.9 -47.02 80.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 63.31 111.13 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.28 -49.76 75.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 71.32 111.081 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -51.89 -51.07 59.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.428 . . . . 71.55 110.864 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.19 -55.42 35.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 74.32 110.899 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 31.5 mm -52.37 -53.58 18.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 74.24 111.095 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 37.8 mm -58.49 -49.87 80.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 70.44 111.116 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -53.56 -53.49 50.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 72.11 110.902 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -63.78 -32.37 73.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 63.32 110.886 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.424 . . . . 51.11 111.105 179.817 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.833 0.349 . . . . 70.14 111.105 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -118.01 -47.98 2.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 74.11 110.88 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.93 179.32 1.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 64.25 111.079 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 29.9 p -109.03 -174.13 2.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 73.21 110.917 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.663 HG23 ' HB3' ' A' ' 9' ' ' HIS . 30.9 m -109.81 82.23 2.28 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.594 0.711 . . . . 64.43 111.19 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -168.61 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.728 2.285 . . . . 74.41 112.332 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.5 tp -61.39 142.18 57.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 75.4 110.937 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.2 mt 66.34 56.18 0.8 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 72.31 110.962 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.663 ' HB3' HG23 ' A' ' 5' ' ' THR . 5.3 m-70 -146.49 166.97 24.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 61.34 110.843 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -77.87 113.36 15.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 64.55 110.823 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.1 p -125.84 8.5 7.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 71.42 110.901 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.4 t -56.83 -27.37 59.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 72.32 110.89 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -80.12 -20.4 45.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 71.5 110.87 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -162.77 119.01 1.87 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 75.23 110.891 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.0 mtm-85 -85.03 -20.66 30.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 74.2 110.881 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.3 m170 -103.95 19.41 20.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 71.22 110.861 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.9 m -100.11 -21.18 15.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 72.04 110.852 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.7 m -51.35 157.6 0.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 75.02 110.917 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.9 m -66.14 155.64 36.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 64.14 110.854 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.6 ttt85 -80.14 161.66 25.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 71.55 110.835 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -114.05 -177.64 19.18 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.754 -0.736 . . . . 54.45 112.494 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.31 -34.58 65.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.811 0.339 . . . . 73.41 110.888 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 5.1 mtt -107.94 -46.16 3.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 73.11 110.868 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -146.89 175.69 10.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 75.1 110.908 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.0 145.96 29.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 74.21 110.878 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -57.32 166.56 1.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 74.21 110.94 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -117.67 136.52 54.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 75.02 111.113 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.4 t -92.09 114.13 26.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 72.13 110.908 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -92.46 149.59 21.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 75.21 110.868 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 35.4 m -131.75 151.4 51.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 71.32 110.902 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -145.06 148.1 33.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 74.22 110.94 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -121.8 77.37 39.01 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.665 0.745 . . . . 71.32 110.955 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 76.81 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.725 2.284 . . . . 62.13 112.344 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 65.71 30.52 10.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 62.33 110.878 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -164.68 70.2 0.2 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.764 -0.731 . . . . 63.23 112.504 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -79.13 -40.9 29.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 64.2 110.849 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -100.08 14.23 31.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 73.21 110.882 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.53 -61.02 1.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 70.31 110.911 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -160.31 107.19 1.57 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 72.44 111.12 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.55 129.6 34.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.453 . . . . 75.52 110.899 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.9 t -96.44 115.33 35.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 73.1 111.14 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 39.1 m -118.76 153.24 34.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 71.02 110.902 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.8 p -150.09 152.23 34.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 73.1 110.851 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 2.2 t -72.11 129.95 39.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 42.14 110.885 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -140.83 167.02 23.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 72.23 110.972 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -95.2 145.76 30.1 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.563 0.697 . . . . 63.22 110.909 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 169.82 18.03 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.661 2.241 . . . . 73.1 112.363 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.64 -33.35 71.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 73.41 110.889 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.7 m -64.61 -53.67 44.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.437 . . . . 71.41 110.855 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.92 -46.42 89.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 71.31 110.894 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -61.7 2.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.445 . . . . 62.25 110.929 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 35.8 mt -51.27 -46.81 33.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 63.31 111.155 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.41 -59.13 4.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 71.32 111.121 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.1 -48.43 64.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 71.55 110.877 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.9 mmtt -51.07 -55.1 19.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 74.32 110.922 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 42.4 mm -57.52 -51.18 73.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 74.24 111.123 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 43.9 mt -52.66 -56.88 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 70.44 111.134 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -56.52 -44.86 81.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 72.11 110.898 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.5 ttmt -56.45 -58.66 7.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 63.32 110.881 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.23 -48.74 70.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 51.11 111.082 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.9 tptt -52.28 -47.45 65.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 73.32 110.906 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 13.3 m -74.93 -18.25 60.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 74.35 111.189 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.3 m -84.93 -23.97 28.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 72.3 111.142 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 15.9 mt . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 75.53 110.91 179.947 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.126 0 CA-C-O 120.925 0.393 . . . . 70.14 111.086 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.27 110.93 23.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 74.11 110.899 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -158.35 166.95 31.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 64.25 111.119 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m -101.61 161.27 13.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.295 -0.411 . . . . 73.21 110.932 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.59 HG23 ' HB3' ' A' ' 9' ' ' HIS . 97.8 m -116.3 80.77 10.05 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.58 0.705 . . . . 64.43 111.178 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -168.84 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.638 2.225 . . . . 74.41 112.375 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.675 HD12 ' O ' ' A' ' 44' ' ' CYS . 20.2 tp -60.54 150.41 31.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 75.4 110.9 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.511 ' H ' HD12 ' A' ' 7' ' ' LEU . 26.1 mt 59.91 58.44 2.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 72.31 110.989 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.59 ' HB3' HG23 ' A' ' 5' ' ' THR . 2.1 m-70 -145.49 168.16 21.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 61.34 110.838 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.56 116.47 18.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 64.55 110.914 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.8 p -129.37 4.82 5.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 71.42 110.84 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 t -60.12 -24.4 64.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 72.32 110.86 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -79.7 -18.09 52.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 71.5 110.877 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -167.6 115.31 0.76 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 75.23 110.824 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.5 mtm180 -70.82 -13.06 61.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 74.2 110.86 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -110.43 25.24 11.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 71.22 110.875 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.7 m -86.27 -38.35 17.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 72.04 110.824 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 98.7 m -54.9 132.61 46.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 75.02 110.84 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 85.0 m -79.56 164.63 23.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 64.14 110.841 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 49.0 ttt85 -79.9 156.69 27.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 71.55 110.87 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -104.69 -159.98 23.84 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.717 -0.754 . . . . 54.45 112.502 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -77.49 -33.24 54.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.768 0.318 . . . . 73.41 110.851 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 17.2 mtt -100.18 -67.98 0.83 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 73.11 110.851 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -133.62 172.15 13.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 75.1 110.874 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -84.29 145.96 28.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 74.21 110.907 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -74.02 166.14 23.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 74.21 110.888 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.0 p -122.65 149.31 26.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 75.02 111.126 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 50.4 t -94.28 114.43 26.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 72.13 110.874 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -92.61 149.19 21.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 75.21 110.856 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 63.4 m -133.07 139.68 47.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 71.32 110.89 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -145.39 172.76 12.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 74.22 110.885 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -143.65 152.8 57.19 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.69 0.757 . . . . 71.32 110.952 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 73.95 1.3 Allowed 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.722 2.282 . . . . 62.13 112.34 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 55.47 25.55 7.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 62.33 110.916 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 174.7 120.88 0.61 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.752 -0.737 . . . . 63.23 112.503 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.7 pt-20 -74.23 -8.57 56.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.844 0.354 . . . . 64.2 110.959 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.01 10.63 23.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 73.21 110.819 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -110.18 -75.08 0.63 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.256 -0.429 . . . . 70.31 110.848 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.3 m -150.79 139.0 20.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 72.44 111.126 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.45 113.16 25.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 75.52 110.88 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.6 t -113.48 115.97 51.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 73.1 111.086 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 57.9 m -114.49 152.74 31.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 71.02 110.852 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 p -150.46 151.15 32.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 73.1 110.856 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.675 ' O ' HD12 ' A' ' 7' ' ' LEU . 1.8 t -67.99 127.89 34.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 42.14 110.856 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -140.47 170.93 14.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 72.23 110.935 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -95.26 146.51 31.45 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.59 0.709 . . . . 63.22 110.95 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 168.85 20.31 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.71 2.273 . . . . 73.1 112.35 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.06 -29.13 60.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 73.41 110.977 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.2 p -68.27 -55.44 12.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 71.41 110.907 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.78 -41.34 86.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 71.31 110.867 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -63.05 1.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 62.25 110.891 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 50.5 mt -54.23 -50.57 55.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 63.31 111.114 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.43 -54.08 36.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 71.32 111.116 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -55.82 -42.12 75.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 71.55 110.858 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -58.52 -51.9 67.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 74.32 110.887 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 49.3 mm -58.27 -58.14 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 74.24 111.102 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 50.5 mm -52.62 -40.74 35.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 70.44 111.155 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -60.38 -63.51 1.28 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 72.11 110.912 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.87 -25.66 61.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 63.32 110.894 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.1 -63.31 1.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 51.11 111.098 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -25.58 68.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 73.32 110.913 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 95.6 m -74.97 -24.96 58.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 74.35 111.141 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 87.3 m -93.78 -48.26 6.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 72.3 111.19 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.1 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 75.53 110.964 179.957 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.825 0.345 . . . . 70.14 111.111 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.29 -48.98 8.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 74.11 110.921 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.44 156.3 32.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 64.25 111.038 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.4 m -144.8 160.23 41.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 73.21 110.926 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.539 HG23 ' HB3' ' A' ' 9' ' ' HIS . 98.2 m -118.74 81.21 18.36 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.568 0.699 . . . . 64.43 111.103 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -172.88 0.62 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.659 2.24 . . . . 74.41 112.347 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.0 tp -59.04 146.34 38.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 75.4 110.97 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.0 mt 65.9 57.61 0.8 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.239 -0.437 . . . . 72.31 110.888 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.539 ' HB3' HG23 ' A' ' 5' ' ' THR . 4.9 m-70 -146.68 170.69 16.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 61.34 110.866 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.79 123.16 27.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.26 -0.427 . . . . 64.55 110.9 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 22.0 p -132.17 5.44 4.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 71.42 110.903 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.58 -25.37 66.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.155 -0.475 . . . . 72.32 110.839 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 -79.72 -18.51 51.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.482 . . . . 71.5 110.887 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -167.33 123.39 1.12 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 75.23 110.881 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 48.7 mtm180 -78.2 -17.73 56.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 74.2 110.854 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 -109.68 35.39 3.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 71.22 110.856 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -97.47 -35.94 10.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 72.04 110.891 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 68.4 m -53.68 131.79 39.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.064 -0.516 . . . . 75.02 110.79 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 65.6 m -80.65 167.57 19.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 64.14 110.938 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -80.1 152.56 29.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.291 -0.413 . . . . 71.55 110.82 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -105.8 -176.31 23.86 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.784 -0.722 . . . . 54.45 112.479 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.83 -24.79 41.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.795 0.331 . . . . 73.41 110.928 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.3 mtt -108.99 -52.42 2.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 73.11 110.809 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -146.64 158.21 43.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 75.1 110.821 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.66 145.62 28.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 74.21 110.891 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -90.01 147.11 23.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 74.21 110.929 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.564 HG22 ' H ' ' A' ' 28' ' ' CYS . 0.6 OUTLIER -118.76 176.66 3.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 75.02 111.154 179.875 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.564 ' H ' HG22 ' A' ' 27' ' ' VAL . 12.3 t -100.3 116.08 31.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 72.13 110.857 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -103.08 113.82 27.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 75.21 110.858 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 94.3 m -100.77 137.76 38.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 71.32 110.92 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -145.25 178.98 7.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.466 . . . . 74.22 110.846 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -143.46 153.97 59.56 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.76 0.791 . . . . 71.32 110.902 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 74.05 1.32 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.686 2.257 . . . . 62.13 112.327 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 54.75 26.63 7.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 62.33 110.843 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 177.07 124.24 0.83 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.709 -0.758 . . . . 63.23 112.476 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -75.07 -10.42 59.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.844 0.354 . . . . 64.2 110.873 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.0 27.71 3.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 73.21 110.876 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.3 mttm -124.01 -74.8 0.6 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 70.31 110.872 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 89.7 m -154.12 140.24 18.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.254 -0.43 . . . . 72.44 111.213 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -96.46 116.12 28.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.273 -0.421 . . . . 75.52 110.942 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 18.2 t -114.58 117.73 56.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 73.1 111.157 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 56.1 m -117.43 139.64 50.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 71.02 110.84 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.0 p -145.59 155.53 43.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.129 -0.487 . . . . 73.1 110.801 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 2.3 t -68.01 116.26 8.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.498 . . . . 42.14 110.891 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -143.62 173.78 11.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 72.23 110.895 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -87.0 143.04 34.41 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.586 0.707 . . . . 63.22 110.89 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 148.7 65.78 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.625 2.217 . . . . 73.1 112.343 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.15 -28.94 56.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 73.41 110.892 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.74 -51.73 52.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 71.41 110.801 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 49.9 m170 -64.02 -41.6 97.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 71.31 110.843 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.8 mmtp -59.83 -58.51 8.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 62.25 110.918 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 38.8 mt -55.49 -48.5 77.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 63.31 111.166 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.72 -57.88 8.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 71.32 111.054 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.01 -44.03 70.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 71.55 110.917 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.3 mmmt -54.29 -53.36 54.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 74.32 110.914 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 49.4 mm -58.25 -56.81 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 74.24 111.13 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 49.8 mm -51.58 -55.33 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 70.44 111.076 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -51.99 -45.39 64.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 72.11 110.859 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.2 ttmm -65.41 -33.72 76.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 63.32 110.898 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.55 -48.33 72.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 51.11 111.132 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -72.0 -30.45 65.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 73.32 110.912 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 96.0 m -74.98 -25.25 58.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 74.35 111.159 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 96.1 m -85.49 -39.23 17.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 72.3 111.172 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.3 mt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 75.53 110.913 179.972 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.853 0.358 . . . . 70.14 111.116 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.44 108.5 16.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 74.11 110.897 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -72.6 127.33 32.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 64.25 111.095 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.48 -175.47 3.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 73.21 110.868 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 92.2 m -138.86 87.55 14.4 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.577 0.703 . . . . 64.43 111.146 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.83 -171.97 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.63 2.22 . . . . 74.41 112.353 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.3 tp -64.89 141.33 58.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.268 -0.423 . . . . 75.4 110.91 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.2 mt 66.25 53.31 1.04 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 72.31 110.903 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -143.59 167.29 22.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 61.34 110.949 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -71.01 119.76 15.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.223 -0.444 . . . . 64.55 110.862 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.0 p -128.79 2.13 5.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.431 . . . . 71.42 110.871 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.2 t -58.1 -27.87 64.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 72.32 110.915 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -79.93 -20.36 45.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 71.5 110.886 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -161.54 115.99 1.98 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 75.23 110.89 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 50.7 mtm180 -84.98 -9.61 57.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 74.2 110.906 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -118.4 24.58 10.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 71.22 110.871 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -100.0 -26.83 13.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 72.04 110.878 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 48.6 m -51.89 131.96 31.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.49 . . . . 75.02 110.933 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -52.93 171.99 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 64.14 110.895 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.1 ttp180 -80.75 166.02 21.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 71.55 110.94 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -111.87 161.67 12.67 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.724 -0.751 . . . . 54.45 112.471 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.36 -35.31 37.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 73.41 110.892 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.7 mtt -117.14 -45.15 2.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 73.11 110.863 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -146.03 142.77 28.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 75.1 110.889 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.38 156.67 1.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 74.21 110.882 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -77.86 163.31 26.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 74.21 110.94 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.0 p -115.56 149.03 17.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.07 -0.514 . . . . 75.02 111.174 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 51.6 t -97.49 112.4 24.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 72.13 110.892 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -93.88 122.69 36.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 75.21 110.807 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.6 m -107.09 150.23 26.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 71.32 110.971 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -141.72 153.58 44.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 74.22 110.887 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -125.31 77.62 68.01 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.644 0.735 . . . . 71.32 110.937 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 75.9 1.15 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.729 2.286 . . . . 62.13 112.356 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 65.04 30.67 11.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.302 -0.408 . . . . 62.33 110.841 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -167.29 76.82 0.12 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.778 -0.725 . . . . 63.23 112.503 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -96.41 21.21 9.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.829 0.347 . . . . 64.2 110.914 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -110.16 -57.23 2.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.111 -0.495 . . . . 73.21 110.84 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.66 22.3 2.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 70.31 110.933 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -138.98 55.37 1.71 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 72.44 111.152 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -90.59 121.5 32.57 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.277 -0.419 . . . . 75.52 110.854 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 14.3 t -104.99 113.28 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 73.1 111.128 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 18.8 m -119.08 153.39 34.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 71.02 110.867 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.4 p -148.89 151.0 33.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 73.1 110.865 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 t -73.69 128.82 36.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 42.14 110.931 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -140.67 175.07 9.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 72.23 110.943 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -95.71 146.76 31.88 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.609 0.719 . . . . 63.22 110.889 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 171.0 15.25 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.661 2.241 . . . . 73.1 112.29 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.62 -28.23 65.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 73.41 110.861 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.0 m -68.84 -55.4 11.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 71.41 110.926 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -60.62 -39.05 86.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 71.31 110.895 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.1 mmtp -64.86 -64.31 0.9 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.156 -0.474 . . . . 62.25 110.882 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 54.5 mt -53.36 -42.74 49.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 63.31 111.142 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.18 -58.84 6.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 71.32 111.089 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -54.2 -37.42 64.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 71.55 110.897 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -62.17 -54.98 33.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 74.32 110.933 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 50.9 mt -55.87 -51.66 57.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 74.24 111.137 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 47.3 mm -57.38 -56.12 16.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.457 . . . . 70.44 111.145 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -51.95 -48.96 64.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.175 -0.466 . . . . 72.11 110.815 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -60.72 -35.93 77.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.192 -0.458 . . . . 63.32 110.813 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.37 -50.66 66.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 51.11 111.104 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.4 mtpp -61.82 -47.61 84.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 73.32 110.919 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.5 m 64.12 16.03 9.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 74.35 111.12 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 26.4 m -86.71 -24.88 25.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 72.3 111.159 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.3 mt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 75.53 110.901 179.944 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.864 0.364 . . . . 70.14 111.095 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.1 tttt 53.58 38.19 27.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 74.11 110.887 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -88.12 31.15 0.81 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 64.25 111.035 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.2 m -127.83 161.12 29.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.423 . . . . 73.21 110.855 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.679 HG23 ' HB3' ' A' ' 9' ' ' HIS . 94.4 m -113.14 78.87 3.36 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.643 0.735 . . . . 64.43 111.138 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -169.04 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.746 2.297 . . . . 74.41 112.335 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.625 HD12 ' O ' ' A' ' 44' ' ' CYS . 20.0 tp -58.22 150.43 21.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 75.4 110.953 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.537 ' H ' HD12 ' A' ' 7' ' ' LEU . 27.9 mt 59.73 61.03 2.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.215 -0.448 . . . . 72.31 110.898 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.679 ' HB3' HG23 ' A' ' 5' ' ' THR . 2.0 m-70 -144.86 168.08 21.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 61.34 110.888 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -77.59 119.22 20.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 64.55 110.932 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.9 p -130.14 3.27 4.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.419 . . . . 71.42 110.884 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.78 -39.45 71.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 72.32 110.918 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -80.79 -14.99 57.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 71.5 110.899 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -158.0 112.99 2.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 75.23 110.877 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -84.35 -18.94 34.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 74.2 110.867 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -107.52 24.75 12.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 71.22 110.811 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.2 p -87.07 -37.16 17.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 72.04 110.844 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 97.4 m -52.22 131.68 32.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 75.02 110.872 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 62.7 m -80.04 158.18 26.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 64.14 110.838 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -59.35 171.4 0.79 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 71.55 110.831 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -113.06 -154.87 11.72 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.669 -0.777 . . . . 54.45 112.452 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -79.51 -34.49 41.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.836 0.35 . . . . 73.41 110.912 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -120.11 -47.71 2.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.489 . . . . 73.11 110.863 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -131.91 163.02 29.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 75.1 110.811 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -83.72 145.36 28.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 74.21 110.918 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -72.23 165.65 24.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 74.21 110.925 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.7 p -125.93 148.91 30.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 75.02 111.079 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.2 t -93.34 118.32 31.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 72.13 110.915 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -96.07 155.6 16.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 75.21 110.863 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 85.3 m -138.29 138.37 38.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 71.32 110.817 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -145.32 172.83 12.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 74.22 110.837 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -140.47 153.92 68.92 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.642 0.734 . . . . 71.32 110.915 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 74.0 1.33 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.7 2.267 . . . . 62.13 112.322 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 56.52 24.5 8.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 62.33 110.861 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 174.69 124.66 0.81 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.727 -0.749 . . . . 63.23 112.477 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.5 pm0 -76.56 -7.47 55.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.88 0.371 . . . . 64.2 110.886 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -90.86 12.31 19.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 73.21 110.912 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.6 mmtp -112.28 -73.5 0.67 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 70.31 110.854 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.4 m -153.94 141.94 20.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.285 -0.416 . . . . 72.44 111.166 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -100.05 116.51 32.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 75.52 110.899 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 17.1 t -114.01 117.05 54.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 73.1 111.14 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 61.5 m -115.98 149.44 38.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 71.02 110.871 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.2 p -150.32 152.06 33.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 73.1 110.872 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.625 ' O ' HD12 ' A' ' 7' ' ' LEU . 1.8 t -67.59 128.17 35.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.088 -0.505 . . . . 42.14 110.88 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -140.97 169.28 17.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 72.23 110.948 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -95.2 146.79 31.94 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.647 0.736 . . . . 63.22 110.872 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 173.99 10.13 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.65 2.234 . . . . 73.1 112.388 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.2 -28.62 66.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 73.41 110.967 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.35 -58.88 3.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 71.41 110.845 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.57 -38.42 77.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 71.31 110.846 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.56 -62.93 1.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 62.25 110.851 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 49.8 mt -54.46 -48.15 69.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 63.31 111.114 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.12 -55.38 24.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 71.32 111.109 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -55.34 -43.52 75.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 71.55 110.917 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -55.83 -52.35 64.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 74.32 110.879 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 47.2 mm -58.77 -57.25 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 74.24 111.107 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 43.8 mm -52.1 -34.17 17.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 70.44 111.165 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -68.18 -59.94 2.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 72.11 110.899 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.5 mtmt -58.66 -25.29 62.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 63.32 110.919 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.0 -58.16 3.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 51.11 111.054 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.3 pttt -64.15 -27.6 69.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 73.32 110.974 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 95.6 m -75.53 -30.32 59.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 74.35 111.184 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 95.1 m -88.11 -27.28 22.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 72.3 111.095 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.0 mt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.277 -0.42 . . . . 75.53 110.915 179.939 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.878 0.37 . . . . 70.14 111.085 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.3 143.94 27.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 74.11 110.849 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.72 113.82 5.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 64.25 111.105 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.7 p -101.05 -174.49 2.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.421 . . . . 73.21 110.854 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 57.2 m -110.52 80.79 2.14 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.614 0.721 . . . . 64.43 111.15 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -168.84 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.69 2.26 . . . . 74.41 112.328 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.0 tp -65.08 136.43 56.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 75.4 110.89 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.1 mt 66.18 53.1 1.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 72.31 110.937 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -143.49 167.5 22.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 61.34 110.862 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -66.01 117.62 8.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 64.55 110.84 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.6 p -119.93 5.18 10.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 71.42 110.922 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.7 t -54.13 -45.7 72.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 72.32 110.825 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -96.06 15.82 19.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 71.5 110.883 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -154.53 101.4 2.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 75.23 110.884 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 -85.22 -68.04 0.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 74.2 110.841 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -94.58 26.86 3.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 71.22 110.909 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.25 -16.19 17.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 72.04 110.864 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.2 m -50.54 142.45 10.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 75.02 110.88 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -66.23 174.36 2.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 64.14 110.87 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.34 168.04 20.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 71.55 110.842 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -113.3 -150.62 10.68 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.72 -0.752 . . . . 54.45 112.495 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.62 -34.72 40.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.843 0.354 . . . . 73.41 110.894 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 5.1 mmt -127.25 -40.86 1.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 73.11 110.893 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -132.53 176.75 8.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 75.1 110.864 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -82.08 145.73 30.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 74.21 110.916 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -72.66 158.17 36.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.294 -0.412 . . . . 74.21 110.909 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.7 p -115.87 147.99 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 75.02 111.164 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 33.5 t -89.74 128.06 36.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 72.13 110.903 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -116.18 128.09 55.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 75.21 110.922 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 62.8 m -109.36 143.81 38.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 71.32 110.852 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -145.13 152.57 40.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 74.22 110.924 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -131.0 154.73 82.11 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.636 0.732 . . . . 71.32 110.951 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 74.54 1.29 Allowed 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.646 2.231 . . . . 62.13 112.342 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 57.05 23.9 8.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 62.33 110.898 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 165.02 149.19 5.74 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.699 -0.762 . . . . 63.23 112.471 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.5 pm0 -95.87 28.58 3.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.867 0.365 . . . . 64.2 110.943 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -110.16 15.99 22.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.119 -0.491 . . . . 73.21 110.876 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -128.2 -75.11 0.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 70.31 110.935 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.4 m -155.1 138.25 15.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 72.44 111.144 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.85 114.16 27.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 75.52 110.913 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 20.7 t -106.0 118.97 54.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 73.1 111.12 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.7 m -121.05 148.58 43.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 71.02 110.874 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.8 p -149.98 151.4 33.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 73.1 110.9 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 t -74.61 128.06 34.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 42.14 110.861 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -136.99 -176.82 4.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 72.23 110.891 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -95.13 145.18 29.07 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.589 0.709 . . . . 63.22 110.954 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 170.7 15.93 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.702 2.268 . . . . 73.1 112.373 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.35 -30.02 62.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 73.41 110.977 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.95 -56.85 8.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 71.41 110.854 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -57.89 -42.95 85.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 71.31 110.957 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.3 mttt -60.06 -61.16 2.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 62.25 110.934 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 42.5 mt -56.08 -45.81 80.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 63.31 111.149 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.58 -55.26 34.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.1 -0.5 . . . . 71.32 111.099 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -55.83 -44.0 77.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 71.55 110.919 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.1 mmtt -57.28 -46.55 83.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 74.32 110.835 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 37.3 mt -62.42 -55.39 24.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 74.24 111.055 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 43.7 mm -53.11 -41.79 43.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 70.44 111.154 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -62.31 -56.75 15.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 72.11 110.808 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.63 -25.54 66.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 63.32 110.971 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.15 -51.14 22.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 51.11 111.06 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -72.46 -25.73 61.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.279 -0.419 . . . . 73.32 110.91 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 90.6 m -76.31 -27.3 56.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 74.35 111.165 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 89.1 m -98.38 -25.33 14.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 72.3 111.138 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.3 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 75.53 110.949 179.982 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.828 0.347 . . . . 70.14 111.09 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 15.8 mtpt -97.99 -33.01 11.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.261 -0.427 . . . . 74.11 110.866 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.5 136.71 40.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 64.25 111.051 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 29.6 p -100.02 -174.16 2.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 73.21 110.818 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.1 m -109.6 82.98 2.42 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.569 0.7 . . . . 64.43 111.113 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -69.87 -172.06 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.647 2.231 . . . . 74.41 112.262 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.3 tp -65.37 143.24 57.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 75.4 110.888 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.5 mt 65.41 51.26 1.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 72.31 110.897 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -145.49 165.58 28.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 61.34 110.814 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -66.25 111.69 3.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 64.55 110.885 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.2 p -113.93 6.52 16.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 71.42 110.916 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.42 -48.47 56.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.098 -0.501 . . . . 72.32 110.904 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -94.28 18.35 11.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.076 -0.511 . . . . 71.5 110.869 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -150.3 98.22 2.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 75.23 110.846 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.5 mtm-85 -76.25 -74.51 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 74.2 110.925 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -100.95 28.4 5.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 71.22 110.83 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -96.18 -10.84 27.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 72.04 110.869 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.3 m -51.3 156.67 1.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 75.02 110.869 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.9 m -67.32 153.95 42.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 64.14 110.862 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -79.92 152.46 29.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 71.55 110.919 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -100.22 -171.33 29.67 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.759 -0.734 . . . . 54.45 112.513 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -77.08 -26.68 53.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.807 0.337 . . . . 73.41 110.868 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.8 mmt -118.48 -49.64 2.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.429 . . . . 73.11 110.924 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -146.33 142.27 28.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 75.1 110.865 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.94 164.33 0.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.49 . . . . 74.21 110.949 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -89.18 162.18 16.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 74.21 110.998 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.7 p -114.99 148.77 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 75.02 111.14 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 29.5 t -93.62 123.63 37.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 72.13 110.881 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -108.22 127.84 54.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.221 -0.445 . . . . 75.21 110.94 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 51.9 m -109.73 141.91 41.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 71.32 110.887 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -145.5 172.72 12.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 74.22 110.864 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -144.13 153.96 57.22 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.705 0.764 . . . . 71.32 110.916 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 74.33 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.746 2.297 . . . . 62.13 112.311 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 56.69 24.44 8.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 62.33 110.921 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 174.52 127.71 1.03 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.72 -0.753 . . . . 63.23 112.472 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -77.46 -5.74 51.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.833 0.349 . . . . 64.2 110.849 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.92 24.22 5.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 73.21 110.901 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.0 mttm -123.54 -74.76 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 70.31 110.881 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.5 m -151.55 132.61 14.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.247 -0.433 . . . . 72.44 111.155 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -91.87 111.06 22.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 75.52 110.92 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.1 t -112.82 115.07 48.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 73.1 111.067 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 16.6 m -116.14 152.14 34.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 71.02 110.919 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.3 p -150.07 146.08 26.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 73.1 110.942 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 t -70.83 131.18 43.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 42.14 110.839 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -143.34 177.83 8.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 72.23 110.869 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -95.3 146.51 31.44 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.601 0.715 . . . . 63.22 110.858 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 166.73 26.61 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.664 2.243 . . . . 73.1 112.369 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.5 -28.3 44.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 73.41 110.877 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.5 m -69.08 -57.26 5.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 71.41 110.844 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.14 -37.71 75.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 71.31 110.814 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt -65.36 -61.4 2.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 62.25 110.845 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 38.0 mt -55.73 -51.02 63.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 63.31 111.142 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.28 -50.96 66.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 71.32 111.068 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -57.86 -40.62 80.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.977 0.417 . . . . 71.55 110.91 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.74 -45.78 92.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.077 -0.51 . . . . 74.32 110.948 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 57.3 mt -61.95 -55.45 24.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 74.24 111.195 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 50.4 mm -55.54 -43.61 73.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 70.44 111.111 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.37 -47.87 80.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 72.11 110.934 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.55 -43.4 97.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 63.32 110.93 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.2 -58.77 4.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 51.11 111.117 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.2 -52.51 61.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 73.32 110.947 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.3 m 62.69 17.1 9.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 74.35 111.188 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 87.0 m -96.78 -33.95 11.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 72.3 111.162 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.3 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 75.53 110.912 179.927 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.812 0.339 . . . . 70.14 111.153 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.27 139.95 23.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 74.11 110.925 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.41 131.86 42.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 64.25 111.127 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m -98.22 163.09 12.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 73.21 110.889 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.564 HG23 ' HB3' ' A' ' 9' ' ' HIS . 98.6 m -120.36 82.09 31.23 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.525 0.679 . . . . 64.43 111.137 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.83 -170.56 0.4 Allowed 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.625 2.217 . . . . 74.41 112.367 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.9 tp -61.2 147.34 44.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 75.4 110.875 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.8 mt 64.8 56.26 1.14 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 72.31 110.919 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.564 ' HB3' HG23 ' A' ' 5' ' ' THR . 3.8 m-70 -145.25 167.69 22.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 61.34 110.859 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -76.27 120.59 21.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 64.55 110.847 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.2 p -130.27 3.45 4.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 71.42 110.901 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.4 t -60.79 -24.49 65.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 72.32 110.816 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -79.73 -19.58 48.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.074 -0.512 . . . . 71.5 110.814 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -166.06 124.49 1.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 75.23 110.852 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.7 mtt180 -78.88 -16.33 57.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 74.2 110.853 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -108.79 27.84 9.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.487 . . . . 71.22 110.851 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.7 m -89.21 -40.06 13.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 72.04 110.864 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 83.5 m -52.52 131.63 34.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 75.02 110.909 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 50.5 m -80.5 170.05 16.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 64.14 110.867 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -80.2 157.16 26.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 71.55 110.883 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -116.4 148.46 18.88 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.742 -0.742 . . . . 54.45 112.531 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -51.74 -29.88 20.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.755 0.312 . . . . 73.41 110.855 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 17.1 mtm -100.62 -57.0 2.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 73.11 110.94 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -145.71 156.19 43.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 75.1 110.88 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.3 ttpt -84.75 143.51 29.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 74.21 110.879 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -90.54 148.27 22.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 74.21 110.923 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.568 HG22 ' H ' ' A' ' 28' ' ' CYS . 0.6 OUTLIER -120.2 176.4 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 75.02 111.163 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.568 ' H ' HG22 ' A' ' 27' ' ' VAL . 9.9 t -100.72 115.43 30.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 72.13 110.919 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.65 117.84 35.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 75.21 110.86 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 64.3 m -99.84 154.04 18.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 71.32 110.893 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -143.13 143.31 31.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 74.22 110.898 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -115.13 77.52 5.23 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.671 0.748 . . . . 71.32 110.945 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 76.59 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.689 2.259 . . . . 62.13 112.364 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 65.62 30.49 10.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 62.33 110.897 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -164.75 72.51 0.18 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.726 -0.75 . . . . 63.23 112.496 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -65.72 -62.34 1.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.881 0.372 . . . . 64.2 110.898 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.93 27.57 4.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.498 . . . . 73.21 110.823 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -122.66 -52.47 1.91 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.266 -0.425 . . . . 70.31 110.935 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -159.39 105.57 1.69 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 72.44 111.133 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -100.1 136.31 40.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 75.52 110.826 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.4 t -109.65 118.9 57.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 73.1 111.113 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 34.3 m -119.28 137.02 53.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 71.02 110.86 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.7 p -141.95 158.56 43.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 73.1 110.868 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 2.0 t -69.87 114.91 8.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 42.14 110.853 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -145.11 -179.92 6.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 72.23 110.888 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -89.23 141.67 29.34 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.552 0.692 . . . . 63.22 110.89 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 151.48 68.82 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.671 2.247 . . . . 73.1 112.327 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.68 -25.17 38.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 73.41 110.914 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.59 -53.15 24.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 71.41 110.872 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -66.29 -32.87 74.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.493 . . . . 71.31 110.869 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.667 ' HE2' HD13 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -69.81 -47.07 64.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 62.25 110.888 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.667 HD13 ' HE2' ' A' ' 51' ' ' LYS . 16.6 mm -63.47 -46.74 94.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 63.31 111.124 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.5 -53.34 57.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 71.32 111.103 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.92 -44.94 74.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 71.55 110.887 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.3 mptt -58.95 -52.43 65.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 74.32 110.925 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 22.8 mt -55.12 -57.83 6.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 74.24 111.116 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 43.4 mm -52.5 -51.55 33.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 70.44 111.133 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -52.37 -49.74 63.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 72.11 110.889 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.1 tptm -65.13 -31.29 72.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 63.32 110.887 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.54 -51.43 62.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 51.11 111.154 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 32.0 mmtt -72.45 -30.96 65.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 73.32 110.902 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 93.8 m -75.03 -24.89 58.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 74.35 111.098 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 95.7 m -95.02 -28.42 15.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.238 -0.437 . . . . 72.3 111.107 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 70.6 mt . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 75.53 110.895 179.97 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.865 0.364 . . . . 70.14 111.103 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.65 9.03 33.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 74.11 110.919 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -88.04 29.48 0.93 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 64.25 111.093 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.9 p -129.4 -174.11 3.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 73.21 110.906 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 26.3 m -109.19 84.0 2.62 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.618 0.723 . . . . 64.43 111.152 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -169.85 0.36 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.737 2.291 . . . . 74.41 112.267 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.487 HD12 ' H ' ' A' ' 8' ' ' LEU . 21.4 tp -65.7 146.28 54.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 75.4 110.929 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.487 ' H ' HD12 ' A' ' 7' ' ' LEU . 25.5 mt 59.19 52.91 5.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 72.31 110.917 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -144.13 166.21 25.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 61.34 110.897 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -65.14 106.55 1.32 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.292 -0.413 . . . . 64.55 110.831 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.7 p -107.1 2.53 25.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 71.42 110.948 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.8 t -51.6 -46.31 63.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 72.32 110.883 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 41.7 m-70 -94.01 13.29 23.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 71.5 110.826 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.406 ' HB3' ' HB2' ' A' ' 17' ' ' SER . 0.0 OUTLIER -154.8 92.72 1.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 75.23 110.925 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 70.3 mtm180 -75.76 -74.94 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 74.2 110.831 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -93.87 25.38 3.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 71.22 110.81 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.406 ' HB2' ' HB3' ' A' ' 14' ' ' ASP . 1.6 m -100.34 -8.64 23.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 72.04 110.835 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.4 m -50.79 157.43 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 75.02 110.886 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 17.4 m -66.89 152.77 45.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 64.14 110.882 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.1 ttp85 -79.83 149.55 30.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 71.55 110.912 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -98.8 -172.27 31.69 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.803 -0.713 . . . . 54.45 112.448 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -75.52 -29.2 59.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.829 0.347 . . . . 73.41 110.815 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -112.8 -52.44 2.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 73.11 110.829 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -145.98 147.86 32.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 75.1 110.835 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.3 pttt -52.41 166.51 0.18 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.093 -0.503 . . . . 74.21 110.871 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -89.68 159.23 17.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 74.21 110.938 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -115.42 138.82 44.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 75.02 111.14 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.1 t -87.38 132.95 33.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 72.13 110.935 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -119.83 131.33 55.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 75.21 110.897 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 25.2 m -108.33 153.9 22.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 71.32 110.874 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -145.14 160.28 41.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 74.22 110.896 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -132.74 78.97 65.28 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.686 0.755 . . . . 71.32 110.942 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 77.67 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.707 2.271 . . . . 62.13 112.355 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 63.04 30.89 16.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.3 -0.409 . . . . 62.33 110.881 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -164.44 65.39 0.23 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.783 -0.722 . . . . 63.23 112.544 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.1 -42.07 48.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.891 0.377 . . . . 64.2 110.875 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -95.56 14.19 23.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 73.21 110.897 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.93 -63.88 1.39 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 70.31 110.875 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -160.41 102.62 1.39 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 72.44 111.173 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.73 136.68 40.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 75.52 110.813 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.3 t -103.69 115.85 46.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 73.1 111.137 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 18.9 m -117.3 148.81 41.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 71.02 110.88 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.5 p -150.02 147.57 27.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 73.1 110.842 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.454 ' O ' HD12 ' A' ' 7' ' ' LEU . 1.8 t -70.67 132.9 46.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 42.14 110.957 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -140.19 173.7 11.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 72.23 110.896 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -94.98 144.89 28.56 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.686 0.755 . . . . 63.22 110.892 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.72 171.08 15.08 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.677 2.252 . . . . 73.1 112.413 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.09 -30.05 65.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.231 -0.441 . . . . 73.41 110.902 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.7 t -67.5 -55.87 11.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 71.41 110.795 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.24 -40.72 86.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 71.31 110.86 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.5 mtpt -61.96 -59.62 4.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 62.25 110.878 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 44.9 mt -57.22 -50.91 75.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 63.31 111.154 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.67 -51.22 63.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 71.32 111.09 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -57.4 -43.09 83.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 71.55 110.821 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.93 -52.79 64.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 74.32 110.896 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 50.0 mm -57.21 -48.32 82.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 74.24 111.05 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 38.1 mt -57.47 -46.62 85.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 70.44 111.169 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -60.86 -49.7 76.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 72.11 110.869 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.86 -29.97 71.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 63.32 110.916 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.48 -57.04 5.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 51.11 111.137 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.6 mtpt -66.91 -51.69 52.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 73.32 110.797 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.1 m 62.95 16.48 9.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.421 . . . . 74.35 111.176 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.8 m -96.4 -32.95 12.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.452 . . . . 72.3 111.126 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 22.8 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 75.53 110.893 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.798 0.332 . . . . 70.14 111.126 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt 52.7 36.61 21.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.414 . . . . 74.11 110.921 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -88.14 32.98 0.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 64.25 111.121 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 29.3 p -122.6 -174.08 2.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 73.21 110.917 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.5 m -109.69 83.08 2.53 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.715 0.769 . . . . 64.43 111.138 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -172.71 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.676 2.251 . . . . 74.41 112.355 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.415 HD21 ' OE1' ' A' ' 46' ' ' GLN . 7.1 tp -65.24 143.62 57.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 75.4 110.925 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.5 mt 66.05 51.01 1.36 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 72.31 110.933 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -145.3 165.17 29.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 61.34 110.844 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.43 109.35 3.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 64.55 110.866 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.0 p -110.27 9.56 23.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 71.42 110.928 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.57 -48.61 57.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 72.32 110.808 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -94.81 20.16 9.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 71.5 110.819 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -149.84 98.41 2.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 75.23 110.852 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 72.8 mtm180 -74.07 -74.12 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 74.2 110.93 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -104.02 24.45 11.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 71.22 110.88 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.7 m -89.71 -10.32 46.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 72.04 110.845 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.8 m -51.29 156.76 1.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.115 -0.493 . . . . 75.02 110.908 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.4 m -68.09 153.61 43.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 64.14 110.876 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.87 152.61 29.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 71.55 110.887 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -100.53 -173.83 29.65 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.715 -0.755 . . . . 54.45 112.561 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.13 -33.76 65.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.793 0.33 . . . . 73.41 110.877 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.6 mpt? -107.2 -52.41 2.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 73.11 110.879 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -143.58 165.98 26.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 75.1 110.819 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.13 159.53 33.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 74.21 110.843 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -86.05 166.17 16.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 74.21 110.906 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.6 p -117.23 148.66 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.068 -0.515 . . . . 75.02 111.085 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 31.0 t -96.29 116.29 28.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 72.13 110.878 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -95.75 154.47 17.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 75.21 110.842 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 72.1 m -139.98 138.2 35.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 71.32 110.877 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -145.5 177.06 9.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 74.22 110.93 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -143.87 153.61 57.66 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.675 0.75 . . . . 71.32 110.941 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 74.44 1.29 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.635 2.223 . . . . 62.13 112.328 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 56.89 24.22 9.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.279 -0.418 . . . . 62.33 110.779 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 173.22 127.34 0.97 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.716 -0.754 . . . . 63.23 112.402 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.05 -9.75 58.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.801 0.334 . . . . 64.2 110.856 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -86.33 4.95 36.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.128 -0.487 . . . . 73.21 110.864 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -104.15 -75.03 0.63 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 70.31 110.905 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 32.3 m -154.12 144.82 22.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 72.44 111.11 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -99.87 115.97 30.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 75.52 110.905 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.3 t -112.89 116.31 52.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 73.1 111.132 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 49.3 m -116.79 150.25 38.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 71.02 110.811 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.4 p -150.2 149.14 29.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 73.1 110.898 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 t -73.08 128.26 34.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 42.14 110.933 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -140.65 178.71 7.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.095 -0.502 . . . . 72.23 110.91 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.415 ' OE1' HD21 ' A' ' 7' ' ' LEU . 11.7 pm0 -95.54 146.96 32.25 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.592 0.71 . . . . 63.22 110.917 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 166.17 28.56 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.687 2.258 . . . . 73.1 112.3 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.04 -35.83 62.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 73.41 110.91 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.6 -52.2 64.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.288 -0.415 . . . . 71.41 110.939 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.3 -43.32 88.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 71.31 110.838 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt -58.44 -57.81 11.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 62.25 110.879 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 31.2 mt -53.1 -49.99 47.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.291 -0.413 . . . . 63.31 111.201 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.34 -53.48 44.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.084 -0.507 . . . . 71.32 111.022 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -55.44 -46.25 76.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 71.55 110.897 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.9 mtpp -56.95 -48.9 77.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 74.32 110.952 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 48.1 mt -58.03 -58.18 7.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 74.24 111.088 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 44.3 mm -51.66 -51.92 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 70.44 111.175 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -52.09 -49.93 62.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 72.11 110.9 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -58.19 -41.26 83.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 63.32 110.907 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.13 -49.09 79.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 51.11 111.115 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 30.5 mmtt -60.8 -45.82 92.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 73.32 110.887 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.2 m 64.47 15.96 9.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.288 -0.415 . . . . 74.35 111.143 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.7 m -89.85 -19.96 24.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 72.3 111.114 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 34.4 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 75.53 110.85 -179.963 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.861 0.362 . . . . 70.14 111.078 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -118.66 -36.69 3.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 74.11 110.91 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.42 122.31 17.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 64.25 111.049 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.37 -175.55 2.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 73.21 110.878 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 86.6 m -139.06 88.04 13.6 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.593 0.711 . . . . 64.43 111.097 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -172.61 0.59 Allowed 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.742 2.294 . . . . 74.41 112.331 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.3 tp -64.68 142.64 58.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 75.4 110.919 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.4 mt 66.09 53.16 1.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 72.31 110.927 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -143.66 167.49 22.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 61.34 110.892 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -74.21 120.79 20.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 64.55 110.849 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.9 p -132.81 6.23 3.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 71.42 110.84 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.6 t -58.09 -26.25 62.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 72.32 110.883 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -80.23 -20.06 45.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.088 -0.506 . . . . 71.5 110.846 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -164.29 120.85 1.61 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 75.23 110.818 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 66.2 mtp180 -85.09 -21.81 29.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 74.2 110.926 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -102.51 25.11 9.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 71.22 110.828 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 44.2 p -99.17 -30.97 11.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 72.04 110.893 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 54.3 m -52.11 133.21 33.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.13 -0.486 . . . . 75.02 110.873 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -52.71 171.89 0.05 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 64.14 110.849 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.72 167.92 19.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 71.55 110.82 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -113.86 164.43 12.06 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 54.45 112.481 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.82 -35.36 44.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.776 0.322 . . . . 73.41 110.852 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 7.1 mmt -118.54 -44.61 2.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.448 . . . . 73.11 110.919 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -144.56 142.35 30.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 75.1 110.869 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.72 157.75 0.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 74.21 110.944 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -75.73 163.98 26.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 74.21 110.97 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.9 p -116.0 148.94 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 75.02 111.141 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 47.5 t -99.95 112.58 24.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 72.13 110.912 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -91.39 152.77 20.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 75.21 110.833 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.8 m -135.03 151.17 50.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 71.32 110.904 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -145.14 155.46 43.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 74.22 110.9 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -126.71 77.82 73.62 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.705 0.764 . . . . 71.32 110.881 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 77.3 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.618 2.212 . . . . 62.13 112.303 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 65.75 30.22 10.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 62.33 110.947 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -169.32 76.28 0.11 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.769 -0.729 . . . . 63.23 112.495 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -92.77 -24.63 18.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.899 0.38 . . . . 64.2 110.862 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -108.59 26.19 10.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 73.21 110.878 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.1 ptpt -139.85 -49.62 0.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 70.31 110.926 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.6 m -161.91 115.8 1.87 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.296 -0.411 . . . . 72.44 111.121 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -96.21 131.92 42.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 75.52 110.818 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 13.0 t -95.83 112.21 27.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.117 -0.492 . . . . 73.1 111.096 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 44.2 m -117.45 150.5 38.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 71.02 110.911 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.9 p -148.89 154.24 39.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.193 -0.458 . . . . 73.1 110.848 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 t -73.75 129.59 38.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.081 -0.508 . . . . 42.14 110.868 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -143.52 173.43 11.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 72.23 110.908 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -95.28 147.15 32.56 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.622 0.725 . . . . 63.22 110.906 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 164.18 35.45 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.671 2.247 . . . . 73.1 112.32 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.63 -32.22 28.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 73.41 110.932 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.83 -58.32 5.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 71.41 110.848 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -57.13 -32.35 66.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.491 . . . . 71.31 110.813 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.05 -51.11 42.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 62.25 110.887 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 55.9 mt -60.62 -35.8 66.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 63.31 111.098 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.83 -55.26 13.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 71.32 111.111 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -59.89 -31.15 69.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 71.55 110.917 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -69.54 -58.83 3.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 74.32 110.919 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 46.7 mt -55.73 -45.59 79.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 74.24 111.206 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 39.4 mt -62.78 -48.58 87.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.073 -0.512 . . . . 70.44 111.137 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -57.37 -46.48 83.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.157 -0.474 . . . . 72.11 110.832 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.6 ttpp -61.84 -47.82 83.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 63.32 110.912 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.69 -60.96 2.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 51.11 111.085 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.02 -55.91 17.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 73.32 110.87 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.3 m 64.35 16.02 9.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 74.35 111.126 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.8 m -91.73 -24.8 19.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 72.3 111.075 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.6 mt . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.252 -0.431 . . . . 75.53 110.888 -179.973 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.851 0.358 . . . . 70.14 111.126 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -161.38 162.67 30.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 74.11 110.934 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -165.22 176.15 8.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 64.25 111.033 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 30.5 p -103.86 -174.12 2.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 73.21 110.901 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.646 HG23 ' HB3' ' A' ' 9' ' ' HIS . 27.1 m -109.73 82.35 2.27 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.524 0.678 . . . . 64.43 111.074 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 -167.39 0.23 Allowed 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.693 2.262 . . . . 74.41 112.339 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.7 tp -62.26 140.72 58.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 75.4 110.93 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.1 mt 65.99 54.94 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 72.31 110.845 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.646 ' HB3' HG23 ' A' ' 5' ' ' THR . 5.2 m-70 -146.77 166.1 27.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.28 -0.418 . . . . 61.34 110.846 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -73.87 121.22 20.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 64.55 110.821 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.0 p -133.01 6.57 3.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 71.42 110.886 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.1 t -57.75 -23.33 51.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 72.32 110.893 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -80.25 -20.28 44.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.499 . . . . 71.5 110.88 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -165.49 123.57 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 75.23 110.881 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -85.13 -15.53 43.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 74.2 110.855 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -110.01 20.01 18.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 71.22 110.864 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.3 p -100.08 -22.25 15.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 72.04 110.854 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 m -51.91 156.56 1.47 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 75.02 110.856 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 12.8 m -68.58 156.68 37.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 64.14 110.877 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -80.22 156.44 26.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 71.55 110.948 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -105.02 -173.8 24.41 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.816 -0.707 . . . . 54.45 112.496 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -76.37 -23.49 54.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.769 0.319 . . . . 73.41 110.914 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -126.05 -45.98 1.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 73.11 110.865 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -145.91 140.99 27.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 75.1 110.914 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -53.9 155.53 3.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 74.21 111.003 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -70.6 161.73 30.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.29 -0.414 . . . . 74.21 110.959 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.2 m -112.2 140.0 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 75.02 111.133 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 39.0 t -89.05 109.65 20.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 72.13 110.889 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -89.88 155.9 18.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.473 . . . . 75.21 110.805 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 68.8 m -136.81 138.56 40.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 71.32 110.897 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -145.41 -178.9 6.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 74.22 110.9 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -143.57 153.95 59.16 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.689 0.757 . . . . 71.32 110.898 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.69 74.47 1.26 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.687 2.258 . . . . 62.13 112.36 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 53.1 28.59 7.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 62.33 110.867 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 177.06 124.98 0.87 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.694 -0.765 . . . . 63.23 112.409 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.02 -15.91 61.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.824 0.345 . . . . 64.2 110.838 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -94.7 38.68 1.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 73.21 110.926 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -132.96 -74.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 70.31 110.868 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 30.2 m -157.0 135.95 11.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.452 . . . . 72.44 111.113 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -93.31 112.49 24.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 75.52 110.905 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.2 t -112.55 119.79 61.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 73.1 111.061 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 57.1 m -113.9 151.11 32.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 71.02 110.827 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.3 p -148.47 154.74 40.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.089 -0.505 . . . . 73.1 110.82 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 t -73.13 125.54 27.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.515 . . . . 42.14 110.853 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -140.75 172.08 13.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 72.23 110.979 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -95.57 147.41 32.97 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.572 0.701 . . . . 63.22 110.921 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 145.48 57.18 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.649 2.233 . . . . 73.1 112.382 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.01 -19.11 60.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 73.41 110.928 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.15 -55.83 10.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 71.41 110.865 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.77 -34.11 73.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 71.31 110.81 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.03 -54.9 26.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 62.25 110.844 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.47 HG22 ' CD1' ' A' ' 56' ' ' ILE . 66.1 mt -65.11 -44.01 95.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 63.31 111.064 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.03 -50.64 73.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 71.32 111.057 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -61.02 -47.35 86.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 71.55 110.905 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp -54.56 -52.18 62.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 74.32 110.842 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.47 ' CD1' HG22 ' A' ' 52' ' ' ILE . 29.4 mt -57.26 -53.53 42.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 74.24 111.139 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 47.9 mt -56.46 -41.96 73.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 70.44 111.099 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -59.01 -60.42 3.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 72.11 110.88 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -61.39 -25.48 67.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 63.32 110.91 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.87 -59.67 3.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 51.11 111.101 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.41 -27.65 65.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 73.32 110.852 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 96.3 m -75.64 -24.58 56.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.301 -0.409 . . . . 74.35 111.133 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 95.4 m -98.64 -26.22 14.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 72.3 111.163 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.1 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 75.53 110.889 -179.988 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.833 0.349 . . . . 70.14 111.072 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.5 tmtt? -127.86 138.91 52.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 74.11 110.855 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 63.56 37.12 10.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 64.25 111.099 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m -132.7 161.73 33.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 73.21 110.879 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.591 HG23 ' HB3' ' A' ' 9' ' ' HIS . 96.8 m -116.57 81.0 10.89 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.542 0.687 . . . . 64.43 111.181 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -168.43 0.28 Allowed 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.638 2.225 . . . . 74.41 112.355 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.672 HD12 ' O ' ' A' ' 44' ' ' CYS . 19.8 tp -60.88 150.52 32.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 75.4 110.939 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.517 ' H ' HD12 ' A' ' 7' ' ' LEU . 26.0 mt 59.94 58.3 2.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.142 -0.481 . . . . 72.31 110.906 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.591 ' HB3' HG23 ' A' ' 5' ' ' THR . 2.1 m-70 -145.6 167.75 22.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 61.34 110.855 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -77.35 118.7 20.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 64.55 110.843 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.9 p -132.14 6.53 4.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 71.42 110.856 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.5 t -61.0 -26.45 67.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.421 . . . . 72.32 110.891 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -79.84 -15.21 57.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 71.5 110.859 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -170.39 113.97 0.46 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.176 -0.465 . . . . 75.23 110.89 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.3 mtm180 -72.55 -14.52 61.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 74.2 110.832 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -107.37 24.45 12.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 71.22 110.832 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -87.22 -39.85 15.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 72.04 110.788 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 98.7 m -51.75 133.0 31.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 75.02 110.88 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 99.2 m -79.83 165.75 22.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 64.14 110.842 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -79.45 151.69 30.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 71.55 110.87 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -96.82 -159.32 31.59 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.756 -0.735 . . . . 54.45 112.53 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.57 -35.15 46.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.755 0.312 . . . . 73.41 110.867 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 43.7 mtt -99.91 -63.7 1.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 73.11 110.887 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -136.02 172.14 13.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 75.1 110.913 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -81.17 158.03 25.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.492 . . . . 74.21 110.93 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -88.47 164.28 15.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 74.21 110.899 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.1 p -119.15 149.79 21.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 75.02 111.151 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.5 t -95.18 113.06 24.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 72.13 110.867 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -90.34 153.5 20.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 75.21 110.871 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 93.7 m -138.96 138.56 37.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 71.32 110.871 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -145.34 175.7 10.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 74.22 110.906 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -143.89 153.6 57.6 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.666 0.746 . . . . 71.32 110.891 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 73.99 1.32 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.679 2.253 . . . . 62.13 112.352 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 56.63 24.35 8.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.48 . . . . 62.33 110.845 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 175.6 125.71 0.89 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.76 -0.733 . . . . 63.23 112.505 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -77.93 -7.04 56.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.867 0.365 . . . . 64.2 110.915 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -92.65 14.85 15.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 73.21 110.84 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -114.57 -74.62 0.61 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.256 -0.429 . . . . 70.31 110.865 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.5 m -151.35 140.57 21.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.212 -0.449 . . . . 72.44 111.11 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.58 114.32 27.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 75.52 110.859 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.6 t -112.08 116.55 52.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 73.1 111.19 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 59.7 m -116.67 150.61 37.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 71.02 110.909 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -150.28 153.54 36.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 73.1 110.917 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.672 ' O ' HD12 ' A' ' 7' ' ' LEU . 1.8 t -69.32 128.23 35.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 42.14 110.93 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -139.99 171.74 13.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 72.23 110.945 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -95.56 147.24 32.69 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.6 0.714 . . . . 63.22 110.923 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 166.11 28.7 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.684 2.256 . . . . 73.1 112.357 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.47 -36.82 62.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 73.41 110.933 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.7 -51.2 68.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 71.41 110.853 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -59.35 -40.24 85.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.101 -0.499 . . . . 71.31 110.871 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.14 -48.5 79.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 62.25 110.936 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.585 HG22 HD11 ' A' ' 56' ' ' ILE . 32.3 mm -62.47 -59.4 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 63.31 111.199 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.588 ' HA ' HD12 ' A' ' 56' ' ' ILE . . . -52.58 -35.71 54.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 71.32 111.078 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -65.8 -51.78 56.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 71.55 110.863 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.8 ptmt -61.31 -30.96 70.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 74.32 110.893 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.588 HD12 ' HA ' ' A' ' 53' ' ' ALA . 34.2 mt -70.58 -60.26 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 74.24 111.142 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 42.0 mm -55.89 -42.44 70.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.264 -0.425 . . . . 70.44 111.141 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -64.52 -53.12 53.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 72.11 110.891 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -60.71 -28.2 68.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 63.32 110.938 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.41 -52.35 16.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 51.11 111.012 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.57 -24.81 64.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 73.32 110.905 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 95.3 m -78.0 -32.73 51.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 74.35 111.204 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 24.3 m -88.29 -36.47 16.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 72.3 111.18 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 37.9 mt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 75.53 110.897 179.916 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.84 0.352 . . . . 70.14 111.123 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -109.74 128.78 55.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 74.11 110.894 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -87.27 42.0 1.01 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 64.25 111.1 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 30.5 p -121.1 -174.26 2.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 73.21 110.876 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.4 m -109.56 82.84 2.34 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.543 0.687 . . . . 64.43 111.139 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -171.47 0.47 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.635 2.223 . . . . 74.41 112.378 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.3 tp -65.42 142.06 58.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 75.4 110.875 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.6 mt 66.2 50.93 1.31 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 72.31 110.932 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -144.52 165.34 28.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 61.34 110.879 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.34 115.73 6.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.426 . . . . 64.55 110.853 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.1 p -119.28 8.2 11.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 71.42 110.878 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.67 -46.68 58.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 72.32 110.804 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 35.5 m170 -96.58 20.32 10.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 71.5 110.817 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -149.57 101.39 3.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 75.23 110.889 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 73.8 mtm180 -77.22 -69.74 0.51 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 74.2 110.854 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -106.67 26.2 10.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 71.22 110.908 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.94 -11.84 37.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 72.04 110.789 -179.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.7 m -51.64 156.64 1.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 75.02 110.952 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 13.0 m -68.32 151.37 47.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 64.14 110.818 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -80.27 152.02 29.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 71.55 110.901 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -99.88 -171.64 30.14 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.83 -0.7 . . . . 54.45 112.505 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -73.71 -35.13 65.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.737 0.303 . . . . 73.41 110.817 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -104.04 -51.44 3.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 73.11 110.935 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -145.83 172.47 13.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.463 . . . . 75.1 110.899 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.28 159.18 30.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 74.21 110.874 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -84.81 167.44 16.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 74.21 110.926 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.1 p -117.0 149.58 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 75.02 111.15 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 29.4 t -97.87 120.54 38.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 72.13 110.877 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.62 156.03 17.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 75.21 110.841 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 55.7 m -136.19 135.79 39.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 71.32 110.92 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -145.6 -175.85 4.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 74.22 110.899 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -144.19 153.08 55.89 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.643 0.735 . . . . 71.32 110.925 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 74.97 1.24 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.672 2.248 . . . . 62.13 112.31 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 59.25 23.52 11.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.423 . . . . 62.33 110.887 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 169.78 131.82 1.37 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.755 -0.736 . . . . 63.23 112.547 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -95.1 28.22 2.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.868 0.366 . . . . 64.2 110.888 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -110.32 25.4 11.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 73.21 110.841 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.55 -62.1 0.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 70.31 110.907 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.1 m -161.63 148.87 14.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 72.44 111.132 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -100.39 121.72 41.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.217 -0.447 . . . . 75.52 110.935 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 14.2 t -105.57 113.87 43.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 73.1 111.109 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 48.5 m -110.62 150.35 29.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 71.02 110.845 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.4 p -150.18 150.3 31.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 73.1 110.879 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 t -72.47 129.98 39.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 42.14 110.93 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -140.9 174.63 10.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 72.23 110.931 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -94.66 146.3 31.19 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.58 0.705 . . . . 63.22 110.944 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.85 168.09 22.66 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.671 2.247 . . . . 73.1 112.298 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.99 -41.0 82.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 73.41 110.902 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 51.4 p -63.5 -37.6 87.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 71.41 110.851 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -65.79 -56.58 11.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 71.31 110.892 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -57.93 -45.04 87.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 62.25 110.829 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 25.7 mm -64.56 -50.64 74.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 63.31 111.131 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.63 -51.09 61.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 71.32 111.09 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.99 -44.96 95.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 71.55 110.858 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.03 -50.12 67.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 74.32 110.88 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 43.0 mm -62.88 -54.28 35.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 74.24 111.117 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 30.9 mt -51.94 -41.33 30.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.451 . . . . 70.44 111.15 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -67.64 -43.75 79.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.186 -0.461 . . . . 72.11 110.896 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.83 -32.54 74.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 63.32 110.882 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.6 -59.37 2.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.293 -0.412 . . . . 51.11 111.058 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.48 -53.99 51.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 73.32 110.84 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.3 m 64.34 16.6 10.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 74.35 111.159 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 19.1 m -95.08 -35.74 11.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.25 -0.432 . . . . 72.3 111.145 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.9 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 75.53 110.957 179.902 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.881 0.372 . . . . 70.14 111.075 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -117.01 22.33 12.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 74.11 110.869 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -83.33 129.67 35.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 64.25 111.058 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m -117.85 160.66 21.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 73.21 110.907 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.6 HG23 ' HB3' ' A' ' 9' ' ' HIS . 98.0 m -114.57 80.22 6.08 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.583 0.706 . . . . 64.43 111.152 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -168.34 0.27 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.679 2.253 . . . . 74.41 112.342 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.661 HD12 ' O ' ' A' ' 44' ' ' CYS . 20.1 tp -60.67 150.1 33.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 75.4 110.941 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.527 ' H ' HD12 ' A' ' 7' ' ' LEU . 26.5 mt 59.95 58.64 2.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 72.31 110.89 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.6 ' HB3' HG23 ' A' ' 5' ' ' THR . 2.1 m-70 -144.96 167.56 22.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 61.34 110.895 179.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -78.0 119.44 21.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 64.55 110.855 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.9 p -133.07 6.43 3.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 71.42 110.815 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.9 t -59.73 -26.06 65.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 72.32 110.843 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -79.72 -19.83 47.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 71.5 110.878 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -165.87 116.0 1.02 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 75.23 110.883 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 31.8 mtm-85 -71.82 -19.95 61.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 74.2 110.9 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -102.02 24.64 9.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 71.22 110.844 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -84.58 -41.32 16.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.203 -0.453 . . . . 72.04 110.85 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 88.3 m -51.78 133.65 31.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 75.02 110.904 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 92.8 m -79.72 164.42 23.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 64.14 110.828 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -80.0 150.17 30.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 71.55 110.868 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -97.85 -164.77 31.48 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.702 -0.761 . . . . 54.45 112.459 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -79.94 -29.16 39.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.736 0.303 . . . . 73.41 110.837 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -105.18 -61.36 1.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 73.11 110.834 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -146.23 139.45 25.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 75.1 110.881 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.02 160.76 2.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 74.21 110.879 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -90.45 167.5 12.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 74.21 110.892 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.7 p -121.71 148.43 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.088 -0.506 . . . . 75.02 111.097 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.5 t -91.9 112.69 24.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 72.13 110.873 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -90.43 154.9 19.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 75.21 110.853 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 87.1 m -140.0 139.77 36.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 71.32 110.918 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -145.27 175.41 10.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 74.22 110.866 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -144.38 153.96 56.34 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.684 0.754 . . . . 71.32 110.917 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 75.08 1.23 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.669 2.246 . . . . 62.13 112.351 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 55.71 26.93 9.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.244 -0.434 . . . . 62.33 110.92 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 169.54 132.45 1.45 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.736 -0.745 . . . . 63.23 112.464 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -80.99 -1.02 42.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.796 0.332 . . . . 64.2 110.879 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -96.74 25.39 5.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.177 -0.465 . . . . 73.21 110.859 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.8 mptt -127.79 -75.17 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 70.31 110.893 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.1 m -151.63 139.86 20.31 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.227 -0.442 . . . . 72.44 111.037 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.02 111.41 23.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 75.52 110.901 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 20.0 t -108.05 118.55 55.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 73.1 111.071 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 62.6 m -119.0 148.48 42.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 71.02 110.89 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.4 p -150.35 154.39 37.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 73.1 110.901 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.661 ' O ' HD12 ' A' ' 7' ' ' LEU . 1.8 t -69.28 127.49 33.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 42.14 110.872 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -140.81 171.41 14.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 72.23 110.932 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -95.22 145.16 29.05 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.589 0.709 . . . . 63.22 110.969 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.65 144.41 54.52 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.696 2.264 . . . . 73.1 112.366 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.467 ' HE2' HD11 ' A' ' 52' ' ' ILE . 0.1 OUTLIER -59.84 -19.66 52.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 73.41 110.871 179.888 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.26 -58.9 3.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 71.41 110.852 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -35.54 80.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 71.31 110.94 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.0 mtpt -63.7 -62.68 1.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 62.25 110.904 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.467 HD11 ' HE2' ' A' ' 48' ' ' LYS . 50.6 mt -56.27 -52.35 52.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.246 -0.434 . . . . 63.31 111.122 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.73 -44.44 66.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.487 . . . . 71.32 111.151 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -65.59 -34.74 78.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 71.55 110.899 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.25 -33.8 67.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 74.32 110.888 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 97.3 mt -72.21 -47.44 53.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 74.24 111.123 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 49.6 mm -68.34 -41.52 83.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 70.44 111.13 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -66.41 -52.09 50.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.091 -0.504 . . . . 72.11 110.876 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.62 -40.34 94.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 63.32 110.824 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.98 -63.19 1.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.276 -0.42 . . . . 51.11 111.112 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.8 -55.6 21.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 73.32 110.902 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.4 m 64.0 16.42 9.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 74.35 111.149 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 85.5 m -90.09 -28.13 19.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.167 -0.469 . . . . 72.3 111.155 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.1 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 75.53 110.877 179.994 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.876 0.369 . . . . 70.14 111.107 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -110.46 -35.51 6.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 74.11 110.879 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 63.83 35.42 11.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 64.25 111.084 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.9 p -95.7 -173.91 3.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 73.21 110.901 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.659 HG23 ' HB3' ' A' ' 9' ' ' HIS . 30.7 m -110.23 80.71 1.98 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.564 0.697 . . . . 64.43 111.038 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -166.76 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.672 2.248 . . . . 74.41 112.339 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.57 HD21 HE21 ' A' ' 46' ' ' GLN . 15.1 tp -62.48 137.96 58.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 75.4 110.894 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.8 mt 66.85 56.2 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 72.31 110.919 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.659 ' HB3' HG23 ' A' ' 5' ' ' THR . 2.7 m-70 -145.12 168.42 20.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 61.34 110.874 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -79.76 121.09 24.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 64.55 110.907 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.4 p -123.88 8.71 8.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.284 -0.416 . . . . 71.42 110.872 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.6 t -58.3 -29.02 65.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 72.32 110.893 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 20.7 m-70 -79.59 -20.48 46.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 71.5 110.82 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -162.75 114.46 1.55 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 75.23 110.933 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.1 mtm180 -85.23 -4.81 59.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 74.2 110.867 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.4 m170 -120.77 17.66 11.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 71.22 110.817 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.4 m -100.36 -20.46 15.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 72.04 110.962 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 m -51.77 141.92 16.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.049 -0.523 . . . . 75.02 110.868 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -70.55 176.34 4.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 64.14 110.917 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.6 ttp180 -80.09 177.86 8.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 71.55 110.846 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -119.92 -175.48 15.73 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.815 -0.707 . . . . 54.45 112.459 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -71.35 -34.4 70.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.805 0.335 . . . . 73.41 110.87 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.5 mmt -119.42 -38.78 2.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 73.11 110.95 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -145.72 150.29 35.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 75.1 110.875 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -52.64 155.07 2.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 74.21 110.881 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -78.47 160.42 27.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 74.21 110.874 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.0 p -121.98 149.32 25.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.082 -0.508 . . . . 75.02 111.143 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 35.1 t -96.4 108.32 20.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 72.13 110.921 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -102.13 139.36 37.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.436 . . . . 75.21 110.876 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 57.4 m -123.16 128.06 49.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 71.32 110.883 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -145.75 149.86 35.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 74.22 110.906 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -84.2 153.12 62.57 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.672 0.749 . . . . 71.32 110.887 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 71.13 1.52 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.689 2.259 . . . . 62.13 112.364 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 50.87 29.7 4.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 62.33 110.886 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.66 145.09 4.44 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.677 -0.773 . . . . 63.23 112.47 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -83.93 70.21 10.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.871 0.367 . . . . 64.2 110.886 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.71 -72.09 0.19 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 73.21 110.906 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.55 -48.07 1.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 70.31 110.871 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.441 HG22 ' H ' ' A' ' 40' ' ' GLU . 0.4 OUTLIER -161.0 167.88 25.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 72.44 111.164 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.441 ' H ' HG22 ' A' ' 39' ' ' THR . 19.8 pt-20 -91.18 150.0 21.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 75.52 110.868 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 26.2 t -95.82 127.18 48.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 73.1 111.097 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 81.5 m -96.31 132.87 41.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 71.02 110.805 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.5 p -140.27 157.71 45.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 73.1 110.885 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.6 t -80.31 121.18 25.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 42.14 110.909 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -130.44 -177.62 4.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 72.23 110.907 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.57 HE21 HD21 ' A' ' 7' ' ' LEU . 3.6 mp0 -94.09 154.92 40.54 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.592 0.71 . . . . 63.22 110.981 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 173.9 10.34 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.711 2.274 . . . . 73.1 112.323 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.31 -22.64 53.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 73.41 110.93 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.2 -56.21 4.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 71.41 110.837 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.96 -30.12 68.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 71.31 110.851 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.75 -55.12 8.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 62.25 110.836 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 77.9 mt -62.22 -44.02 98.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 63.31 111.116 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.67 -52.59 63.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 71.32 111.085 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -57.89 -40.34 80.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 71.55 110.836 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -60.63 -56.53 20.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 74.32 110.91 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 39.6 mm -55.03 -56.31 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 74.24 111.144 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 40.2 mm -53.89 -46.53 64.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 70.44 111.165 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -56.25 -53.83 52.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 72.11 110.877 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.1 ttmt -64.92 -23.44 67.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 63.32 110.872 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.32 -55.82 8.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.421 . . . . 51.11 111.127 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.99 -28.47 64.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 73.32 110.923 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 97.9 m -74.89 -27.49 60.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 74.35 111.181 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 97.0 m -93.42 -51.17 5.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 72.3 111.173 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 36.5 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 75.53 110.933 179.961 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.119 0 CA-C-O 120.914 0.387 . . . . 70.14 111.093 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.24 107.96 19.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 74.11 110.943 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -155.07 162.91 40.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 64.25 111.086 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.2 m -100.48 161.8 13.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 73.21 110.875 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.609 HG23 ' HB3' ' A' ' 9' ' ' HIS . 97.6 m -114.88 80.09 6.4 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.63 0.729 . . . . 64.43 111.136 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -169.97 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.652 2.235 . . . . 74.41 112.318 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.698 HD12 ' O ' ' A' ' 44' ' ' CYS . 25.2 tp -59.03 150.76 23.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 75.4 110.938 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.432 ' H ' HD12 ' A' ' 7' ' ' LEU . 27.6 mt 59.9 59.87 2.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 72.31 110.882 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.609 ' HB3' HG23 ' A' ' 5' ' ' THR . 2.0 m-70 -145.32 168.35 20.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 61.34 110.815 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -78.59 118.01 20.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 64.55 110.857 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.5 p -126.83 1.39 6.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 71.42 110.875 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.4 t -57.6 -28.85 64.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 72.32 110.803 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 46.8 m170 -80.24 -20.24 45.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 71.5 110.821 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -160.7 120.17 2.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.423 . . . . 75.23 110.877 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 74.6 mtm180 -78.22 -19.39 53.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.458 . . . . 74.2 110.85 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.2 m-70 -108.16 26.75 10.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 71.22 110.855 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.2 p -84.38 -41.25 16.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 72.04 110.798 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 91.7 m -52.06 132.78 33.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 75.02 110.916 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 71.8 m -80.38 161.12 25.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 64.14 110.899 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.6 ttp180 -80.1 152.87 29.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.46 . . . . 71.55 110.911 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -114.07 140.39 16.3 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.79 -0.719 . . . . 54.45 112.505 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.75 -26.96 15.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.8 0.333 . . . . 73.41 110.862 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 51.1 mtm -103.01 -50.86 3.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 73.11 110.934 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -148.07 145.13 28.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 75.1 110.855 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -90.09 142.17 27.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 74.21 110.89 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -91.13 137.09 32.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 74.21 110.936 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.48 HG22 ' HD3' ' A' ' 47' ' ' PRO . 1.5 m -117.42 150.81 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 75.02 111.096 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 34.5 t -77.1 126.31 30.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 72.13 110.897 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -119.79 127.77 53.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 75.21 110.876 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 76.2 m -107.35 140.77 39.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 71.32 110.905 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -145.96 176.96 9.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.462 . . . . 74.22 110.945 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -138.25 151.94 70.57 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.674 0.75 . . . . 71.32 110.949 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.73 -0.79 7.39 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.695 2.264 . . . . 62.13 112.392 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 76.06 34.0 0.55 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 62.33 110.943 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -164.06 -34.62 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 63.23 112.486 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -101.8 79.18 1.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.818 0.342 . . . . 64.2 110.811 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -67.85 -10.59 54.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 73.21 110.823 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -98.96 19.77 14.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 70.31 110.921 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -159.75 104.08 1.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 72.44 111.201 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.8 135.6 40.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 75.52 110.908 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.7 t -106.38 115.14 47.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 73.1 111.102 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 34.3 m -108.67 141.28 40.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 71.02 110.908 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 74.8 p -149.01 157.39 43.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 73.1 110.917 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.698 ' O ' HD12 ' A' ' 7' ' ' LEU . 1.7 t -68.92 121.17 16.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 42.14 110.901 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -142.99 169.4 17.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 72.23 110.959 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -87.07 146.02 39.5 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.631 0.729 . . . . 63.22 110.87 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.48 ' HD3' HG22 ' A' ' 27' ' ' VAL . 54.1 Cg_endo -69.74 145.7 58.08 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.681 2.254 . . . . 73.1 112.384 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.24 -30.44 50.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.421 . . . . 73.41 110.836 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.01 -56.92 11.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.286 -0.415 . . . . 71.41 110.853 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 56.7 m170 -62.89 -30.81 71.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 71.31 110.915 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -64.52 -58.94 4.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 62.25 110.914 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.627 HG22 HD11 ' A' ' 56' ' ' ILE . 62.7 mt -60.15 -45.15 96.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 63.31 111.173 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.54 -52.35 63.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 71.32 111.127 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.92 -46.55 88.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 71.55 110.903 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.8 mmtm -55.89 -50.69 69.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 74.32 110.926 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.627 HD11 HG22 ' A' ' 52' ' ' ILE . 27.0 mt -58.25 -55.01 24.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 74.24 111.119 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 38.2 mt -52.28 -51.57 31.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.46 . . . . 70.44 111.119 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -58.35 -47.36 84.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.221 -0.445 . . . . 72.11 110.877 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -60.48 -32.08 71.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 63.32 110.9 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.12 -60.57 2.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 51.11 111.119 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.2 mtpp -53.68 -53.06 57.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 73.32 110.956 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.4 m 64.19 16.29 9.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 74.35 111.133 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -88.1 -23.39 23.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 72.3 111.096 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.6 mt . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.249 -0.432 . . . . 75.53 110.904 179.973 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.872 0.368 . . . . 70.14 111.118 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.82 16.18 15.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 74.11 110.872 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -86.43 47.34 1.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 64.25 111.103 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.6 p -147.44 -174.08 4.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 73.21 110.869 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.9 m -109.43 83.26 2.44 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.549 0.69 . . . . 64.43 111.175 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -170.79 0.41 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.658 2.239 . . . . 74.41 112.351 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.1 tp -64.84 141.95 58.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 75.4 110.955 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.5 mt 65.81 52.02 1.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 72.31 110.932 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -144.85 165.64 27.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 61.34 110.8 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -67.51 103.77 1.41 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 64.55 110.808 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.8 p -104.59 5.25 33.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 71.42 110.931 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.0 t -50.44 -47.3 56.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 72.32 110.85 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -96.04 18.89 12.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 71.5 110.889 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -150.05 94.84 2.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 75.23 110.89 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.6 mtp85 -76.29 -70.46 0.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 74.2 110.85 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -102.08 25.51 8.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 71.22 110.83 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -97.03 -11.9 23.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.315 -0.402 . . . . 72.04 110.846 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.7 m -51.04 151.7 2.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.068 -0.515 . . . . 75.02 110.925 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 20.0 m -64.96 158.02 26.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 64.14 110.875 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -79.98 153.62 28.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 71.55 110.879 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -99.24 -175.7 31.6 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.715 -0.755 . . . . 54.45 112.453 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.96 -24.58 59.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.825 0.345 . . . . 73.41 110.843 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.4 -45.46 1.66 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 73.11 110.899 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -135.87 164.04 28.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 75.1 110.824 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.77 142.23 37.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.496 . . . . 74.21 110.906 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -70.42 145.54 50.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 74.21 110.925 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.4 p -106.97 150.14 9.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.09 -0.504 . . . . 75.02 111.141 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 28.9 t -91.6 125.09 36.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 72.13 110.848 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -107.99 119.83 40.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.481 . . . . 75.21 110.885 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 14.9 m -102.49 143.06 32.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 71.32 110.858 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -145.53 166.53 25.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 74.22 110.842 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -144.05 154.95 58.75 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.758 0.79 . . . . 71.32 110.88 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 74.4 1.32 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.684 2.256 . . . . 62.13 112.287 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 54.65 26.52 7.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 62.33 110.873 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 171.71 142.15 3.61 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.674 -0.774 . . . . 63.23 112.412 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -91.09 14.19 14.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.836 0.35 . . . . 64.2 110.849 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.1 34.12 4.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 73.21 110.815 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -138.51 -75.05 0.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 70.31 110.897 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.1 m -152.08 139.15 19.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.244 -0.435 . . . . 72.44 111.141 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -97.12 108.66 21.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 75.52 110.863 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 14.7 t -107.89 113.47 43.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 73.1 111.129 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 17.5 m -118.72 152.85 35.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 71.02 110.853 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.3 p -149.91 142.37 24.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 73.1 110.835 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 t -68.58 134.22 49.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.082 -0.508 . . . . 42.14 110.895 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -141.39 -179.32 6.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 72.23 110.884 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -95.08 145.39 29.45 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.574 0.702 . . . . 63.22 110.958 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 168.18 22.31 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.683 2.255 . . . . 73.1 112.317 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -52.8 -30.37 32.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 73.41 110.853 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.68 -61.09 2.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.287 -0.415 . . . . 71.41 110.853 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -54.65 -38.0 66.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.081 -0.509 . . . . 71.31 110.816 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -63.5 -65.32 0.7 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.325 -0.398 . . . . 62.25 110.866 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 40.5 mm -54.53 -51.24 51.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 63.31 111.157 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.49 -51.83 51.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 71.32 111.098 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.58 -46.75 80.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 71.55 110.898 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.58 -49.99 69.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 74.32 110.886 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 49.6 mm -59.78 -58.31 7.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 74.24 111.118 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 46.1 mm -53.61 -36.14 27.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 70.44 111.123 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -65.34 -49.23 70.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 72.11 110.899 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.39 -37.64 86.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 63.32 110.918 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.54 -62.37 1.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 51.11 111.054 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.99 -55.64 25.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.294 -0.412 . . . . 73.32 110.935 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.4 m 63.45 16.19 9.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 74.35 111.175 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 54.0 m -89.59 -27.73 20.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 72.3 111.144 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.4 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 75.53 110.936 179.945 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.877 0.37 . . . . 70.14 111.129 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -114.92 127.31 55.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 74.11 110.84 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.13 143.83 56.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 64.25 111.097 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 32.1 p -107.06 -174.16 2.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 73.21 110.897 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.693 HG23 ' HB3' ' A' ' 9' ' ' HIS . 32.4 m -109.79 82.1 2.23 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.562 0.696 . . . . 64.43 111.163 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 -168.84 0.29 Allowed 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 122.655 2.237 . . . . 74.41 112.343 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.4 tp -60.85 141.48 57.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 75.4 110.888 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.7 mt 66.65 56.84 0.71 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 72.31 110.95 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.693 ' HB3' HG23 ' A' ' 5' ' ' THR . 5.6 m-70 -147.19 165.94 28.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 61.34 110.851 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -77.11 119.8 21.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.186 -0.461 . . . . 64.55 110.848 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.8 p -133.29 5.6 3.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 71.42 110.881 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.01 -37.63 64.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 72.32 110.866 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -79.3 -20.48 47.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 71.5 110.865 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -154.35 106.66 2.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 75.23 110.861 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.4 mtp180 -84.74 -26.87 27.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 74.2 110.935 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -93.7 16.81 13.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 71.22 110.8 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 85.4 p -100.52 -19.09 16.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 72.04 110.863 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.7 m -51.59 154.94 1.72 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.087 -0.506 . . . . 75.02 110.879 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 10.5 m -69.63 153.42 43.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 64.14 110.913 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.53 170.2 15.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 71.55 110.905 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -116.48 -178.81 18.05 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.706 -0.759 . . . . 54.45 112.543 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.96 -34.63 76.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.776 0.322 . . . . 73.41 110.917 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -123.0 -36.4 2.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 73.11 110.86 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -145.61 138.09 25.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 75.1 110.88 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt -53.19 162.18 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 74.21 110.892 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -75.17 175.32 8.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 74.21 110.889 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.7 p -130.77 148.48 33.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 75.02 111.154 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.8 t -97.97 112.35 24.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 72.13 110.888 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -91.87 123.94 35.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 75.21 110.893 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 38.5 m -104.76 152.43 22.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 71.32 110.864 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -145.24 148.49 33.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 74.22 110.817 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -118.35 77.44 13.42 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.705 0.764 . . . . 71.32 110.926 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 76.42 1.11 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.709 2.272 . . . . 62.13 112.375 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 65.38 30.55 10.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 62.33 110.924 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -164.66 72.58 0.18 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 63.23 112.488 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -69.08 -61.39 1.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.885 0.374 . . . . 64.2 110.882 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -95.44 22.09 7.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.488 . . . . 73.21 110.808 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.7 mttp -117.22 -53.16 2.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 70.31 110.879 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -159.81 103.71 1.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 72.44 111.16 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -88.39 125.51 34.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 75.52 110.852 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 15.1 t -101.97 114.25 40.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.151 -0.477 . . . . 73.1 111.124 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 24.1 m -119.36 152.57 36.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 71.02 110.872 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.7 p -150.01 149.61 30.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 73.1 110.888 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 t -68.78 126.18 28.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 42.14 110.967 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -136.61 169.78 17.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 72.23 110.941 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -88.11 134.47 34.89 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.611 0.719 . . . . 63.22 110.883 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 145.07 55.87 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.647 2.231 . . . . 73.1 112.359 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -59.36 -19.66 48.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 73.41 110.85 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.29 -61.94 1.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 71.41 110.823 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.83 -36.41 83.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.185 -0.462 . . . . 71.31 110.885 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -63.6 1.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 62.25 110.871 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 40.4 mm -58.24 -30.07 38.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 63.31 111.092 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.38 -60.97 2.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 71.32 111.097 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.51 -29.39 69.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 71.55 110.864 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.7 mptt -65.76 -51.63 57.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.175 -0.466 . . . . 74.32 110.902 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 50.5 mt -64.88 -52.17 57.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 74.24 111.185 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 40.6 mm -54.74 -45.56 73.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.106 -0.497 . . . . 70.44 111.144 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -62.96 -57.77 9.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 72.11 110.888 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.43 -27.18 46.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 63.32 110.895 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.35 -59.71 2.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 51.11 111.074 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.5 ptmt -58.01 -25.66 61.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 73.32 110.863 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 95.4 m -75.0 -25.28 58.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 74.35 111.169 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 26.7 m -87.17 -31.61 20.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 72.3 111.111 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 20.2 mt . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 75.53 110.908 179.967 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.842 0.353 . . . . 70.14 111.105 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.63 -31.26 14.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.179 -0.464 . . . . 74.11 110.892 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 62.17 37.79 14.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.274 -0.421 . . . . 64.25 111.131 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m -93.9 156.11 16.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 73.21 110.861 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.559 HG23 ' HB3' ' A' ' 9' ' ' HIS . 93.3 m -114.73 79.55 5.83 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.607 0.718 . . . . 64.43 111.108 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -170.6 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.692 2.262 . . . . 74.41 112.359 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.7 tp -59.96 149.0 33.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 75.4 110.962 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.7 mt 65.78 55.13 1.0 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.235 -0.439 . . . . 72.31 110.935 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.559 ' HB3' HG23 ' A' ' 5' ' ' THR . 4.6 m-70 -145.63 165.93 27.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 61.34 110.889 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -80.0 114.24 18.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 64.55 110.923 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.0 p -120.64 8.34 10.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 71.42 110.909 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.8 t -59.65 -26.2 65.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 72.32 110.869 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 21.3 m-70 -79.89 -20.09 46.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 71.5 110.878 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -162.96 122.23 2.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 75.23 110.851 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.33 -13.56 58.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 74.2 110.921 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -116.17 28.21 8.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 71.22 110.921 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.7 p -92.42 -35.63 13.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 72.04 110.853 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 63.3 m -51.46 133.01 30.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 75.02 110.825 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 55.1 m -80.22 177.14 9.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 64.14 110.885 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.8 ttp180 -73.66 153.24 40.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 71.55 110.83 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -96.59 -161.77 32.45 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.773 -0.727 . . . . 54.45 112.456 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -80.02 -34.75 38.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.372 . . . . 73.41 110.89 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 46.9 mtt -118.31 -40.49 2.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 73.11 110.915 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -144.17 155.0 43.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 75.1 110.889 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.86 158.18 33.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 74.21 110.909 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -89.89 162.24 15.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 74.21 110.938 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.1 p -128.9 149.65 33.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.479 . . . . 75.02 111.124 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.6 t -88.38 122.15 31.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 72.13 110.889 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -119.69 138.11 53.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 75.21 110.898 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 33.5 m -118.23 134.22 55.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 71.32 110.952 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -145.26 -177.23 5.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 74.22 110.863 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.438 ' HB3' ' HD2' ' A' ' 33' ' ' PRO . 1.5 m-85 -110.59 157.16 39.12 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.674 0.75 . . . . 71.32 110.956 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.438 ' HD2' ' HB3' ' A' ' 32' ' ' TYR . 54.5 Cg_endo -69.72 -2.47 10.2 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.707 2.271 . . . . 62.13 112.396 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 75.69 31.53 0.73 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 62.33 110.9 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -178.48 -57.9 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.732 -0.747 . . . . 63.23 112.49 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -99.94 70.6 1.61 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.859 0.362 . . . . 64.2 110.869 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -76.52 60.14 1.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 73.21 110.855 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.2 mttt -100.3 -17.08 17.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 70.31 110.885 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -159.88 106.79 1.64 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 72.44 111.129 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -51.69 124.86 13.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 75.52 110.906 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 22.1 t -95.07 120.2 44.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.494 . . . . 73.1 111.157 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 62.6 m -102.87 132.59 48.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 71.02 110.86 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 p -139.02 155.74 47.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 73.1 110.877 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 t -73.75 116.32 14.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 42.14 110.852 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -118.56 177.77 4.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 72.23 110.845 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -87.89 156.8 52.3 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.615 0.721 . . . . 63.22 110.83 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 172.48 12.55 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.699 2.266 . . . . 73.1 112.351 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -58.67 -21.68 54.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 73.41 110.934 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 16.1 m -75.82 -53.54 8.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 71.41 110.823 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -64.05 -34.45 78.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 71.31 110.881 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.33 -58.59 3.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 62.25 110.905 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 27.1 mm -55.9 -47.02 80.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 63.31 111.13 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.28 -49.76 75.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 71.32 111.081 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -51.89 -51.07 59.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.428 . . . . 71.55 110.864 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.19 -55.42 35.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 74.32 110.899 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 31.5 mm -52.37 -53.58 18.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 74.24 111.095 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 37.8 mm -58.49 -49.87 80.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 70.44 111.116 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -53.56 -53.49 50.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 72.11 110.902 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -63.78 -32.37 73.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 63.32 110.886 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.64 -50.36 72.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.424 . . . . 51.11 111.105 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.74 -40.42 76.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 73.32 110.816 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.6 m 63.65 16.37 9.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.237 -0.438 . . . . 74.35 111.141 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.4 m -85.98 -20.23 29.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 72.3 111.138 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 19.1 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 75.53 110.92 179.974 . . . . . . . . 0 0 . 1 stop_ save_