data_2dmg_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 2dmg _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.4 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 121.69 0.757 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -31.07 21.26 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.702 2.268 . . . . 0.0 112.356 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 50.9 mt -62.78 -46.72 86.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 134.7 176.78 14.53 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.513 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -134.52 -176.34 4.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.758 0.313 . . . . 0.0 110.937 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.4 ' CD1' HG23 ' A' ' 48' ' ' VAL . 12.3 tt -169.24 141.75 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.551 ' OE1' ' CD1' ' A' ' 130' ' ' TRP . 5.1 tt0 -109.98 120.33 42.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.5 mt -132.01 123.31 27.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 45.7 m -88.31 105.09 17.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 58.9 mt -97.56 126.63 50.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.151 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.2 ttt180 -151.6 109.37 3.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 -102.95 117.0 33.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.6 t -83.89 136.07 34.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.6 t -79.11 -33.94 43.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.838 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.442 ' OE1' ' NH1' ' A' ' 23' ' ' ARG . 47.0 tt0 -67.48 -48.61 66.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.98 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.442 ' NH1' ' OE1' ' A' ' 22' ' ' GLN . 7.1 mpt_? -86.78 -10.84 52.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 47.49 48.91 16.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -130.15 157.65 41.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 49.1 tp -111.85 106.98 15.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.945 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.0 mp -95.37 130.24 44.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.15 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.9 t -136.08 114.49 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.156 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 20.8 t -99.44 135.92 32.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.138 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.3 t -108.71 81.73 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -46.6 -74.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -175.04 169.9 3.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.126 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 14.8 m -120.41 155.13 34.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -143.93 164.69 29.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.818 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 56.03 44.46 25.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.4 mt -98.58 94.0 6.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.7 pp -51.43 141.48 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.139 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.418 ' HB3' ' CD2' ' A' ' 71' ' ' LEU . . . -105.52 129.07 53.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.089 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -54.39 -18.52 4.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.9 t -154.91 122.92 5.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -46.07 -39.05 8.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -38.61 -48.0 1.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 154.58 132.85 1.68 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.433 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.8 p -117.61 159.28 23.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.829 0.347 . . . . 0.0 110.872 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.28 81.71 10.96 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.633 0.73 . . . . 0.0 110.876 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 147.03 62.04 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.685 2.257 . . . . 0.0 112.367 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 14.6 p90 -158.67 144.6 16.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.942 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.4 HG23 ' CD1' ' A' ' 13' ' ' ILE . 62.7 t -94.66 140.1 17.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.102 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.475 ' NE ' ' CD1' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -121.96 124.9 45.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.423 ' HE1' ' CG ' ' A' ' 79' ' ' PHE . 40.3 mtm -112.69 125.48 54.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.475 ' CD1' ' NE ' ' A' ' 49' ' ' ARG . 5.4 m-85 -134.41 133.17 40.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.891 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.4 tp -88.69 92.02 9.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.962 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.52 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 2.3 mm? -69.77 154.94 94.31 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.62 0.724 . . . . 0.0 110.909 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.52 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.6 Cg_endo -69.78 -40.05 1.19 Allowed 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.322 -0.103 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 54' ' ' PRO . 1.8 m-20 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 17.5 mmt180 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.898 0.38 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.5 ptmm? -132.35 166.09 22.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 57.0 p -96.66 170.08 9.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 47.9 t60 -52.8 156.21 2.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 90.5 t -106.51 103.0 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 61.6 m -71.2 143.16 50.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.838 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.8 mtpt -117.45 144.97 44.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.905 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 35.8 mmtm 59.06 49.82 8.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.0 t -165.16 146.81 7.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.1 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.418 ' CD2' ' HB3' ' A' ' 38' ' ' ALA . 66.4 mt -102.32 -29.18 11.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.974 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 24.5 p30 -109.21 80.99 1.52 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.64 0.733 . . . . 0.0 110.945 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.426 ' HB2' ' CZ ' ' A' ' 75' ' ' PHE . 53.7 Cg_endo -69.75 152.14 69.31 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.736 2.291 . . . . 0.0 112.32 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 60.0 t -136.79 120.85 23.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.426 ' CZ ' ' HB2' ' A' ' 73' ' ' PRO . 0.9 OUTLIER -118.44 -38.52 3.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 45.84 32.4 1.27 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.856 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -91.67 165.83 13.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 40.7 t -131.02 127.15 37.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.423 ' CG ' ' HE1' ' A' ' 50' ' ' MET . 10.8 m-85 -109.58 168.39 9.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -150.45 150.21 31.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -145.56 121.97 10.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 33.2 p -69.62 91.27 0.59 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.896 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.7 p -143.51 134.81 22.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.135 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.484 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 0.8 OUTLIER -73.77 148.53 42.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.835 -179.836 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.621 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 3.9 tp -54.83 -43.65 98.82 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.579 0.704 . . . . 0.0 110.929 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 65.5 Cg_exo -48.01 -35.29 25.04 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.667 2.244 . . . . 0.0 112.314 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -88.89 -62.76 1.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 1.4 p -43.76 -25.05 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.073 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.421 ' CD ' ' HG ' ' A' ' 85' ' ' LEU . 61.1 mt-30 -62.63 -57.63 10.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -76.18 -2.38 30.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 33.6 mtp180 -97.63 173.57 7.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.4 m -138.85 152.71 48.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.2 tp -103.52 97.44 7.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.41 ' OD2' ' NE ' ' A' ' 49' ' ' ARG . 10.0 t70 -70.12 104.75 2.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 24.4 t -113.83 101.86 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.101 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.413 ' HB3' ' NZ ' ' A' ' 98' ' ' LYS . . . -119.06 133.35 55.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.167 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 98.8 t -108.64 98.7 7.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.143 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.413 ' NZ ' ' HB3' ' A' ' 96' ' ' ALA . 13.9 mttp -113.14 176.17 5.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 25.5 p-10 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.892 179.97 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 11.1 tp . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.808 0.337 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 14.5 mt -87.78 -43.45 11.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -172.57 146.82 9.4 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -151.68 148.33 27.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.807 0.336 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 7.6 p -142.89 141.95 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.104 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -104.43 144.84 31.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 84.0 t -126.57 133.75 67.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -89.62 112.9 24.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.04 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 26.7 mt -87.54 23.06 2.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -89.02 27.75 1.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.097 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 42.3 t -96.99 155.0 16.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.825 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -94.26 -23.67 17.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -83.55 37.29 0.57 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 15.1 mt -85.14 -37.08 20.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -50.29 -43.43 53.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 34.1 mttp -75.45 -48.55 22.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 96.09 151.11 27.8 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.498 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 21.0 p90 -141.51 163.63 32.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.828 0.347 . . . . 0.0 110.937 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 18.0 m -132.75 127.18 34.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.187 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -158.86 162.4 36.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.959 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' TRP . . . . . 0.551 ' CD1' ' OE1' ' A' ' 14' ' ' GLN . 78.0 m95 -95.78 110.27 22.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -81.34 101.83 10.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.948 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.61 112.2 1.9 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.407 ' C ' HG21 ' A' ' 134' ' ' THR . 57.8 mt -61.81 146.16 50.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.956 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' THR . . . . . 0.407 HG21 ' C ' ' A' ' 133' ' ' LEU . 18.1 p -135.77 172.6 12.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -67.68 167.35 13.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 3.9 p30 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.821 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.8 m . . . . . 0 C--O 1.231 0.11 0 CA-C-O 121.692 0.758 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -30.22 22.77 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.686 2.257 . . . . 0.0 112.335 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.452 ' CD1' ' C ' ' A' ' 134' ' ' THR . 42.6 mt -93.92 -39.61 10.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.978 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 140.88 -167.37 25.65 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -144.05 171.12 14.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.813 0.34 . . . . 0.0 110.9 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.3 tt -158.06 142.33 7.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.155 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.489 ' HB2' ' CE2' ' A' ' 130' ' ' TRP . 30.4 tt0 -111.9 116.33 30.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.415 ' CD1' HG12 ' A' ' 95' ' ' VAL . 8.9 mt -129.18 127.06 40.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.956 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 90.1 m -92.29 104.56 16.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 51.3 mt -97.28 123.88 49.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.16 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.6 ttt-85 -150.59 106.79 3.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 -99.66 123.97 44.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.0 t -93.22 135.86 34.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 90.6 p -74.42 -54.57 7.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.826 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -56.52 -43.13 79.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.956 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.446 ' O ' ' CG ' ' A' ' 24' ' ' ASN . 39.5 mtt-85 -85.36 -18.6 33.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.446 ' CG ' ' O ' ' A' ' 23' ' ' ARG . 6.8 p-10 46.23 40.65 7.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.1 mttt -123.93 141.87 51.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 48.1 tp -99.07 112.91 24.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.97 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.9 mp -103.53 129.5 55.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 50.8 t -133.99 112.75 16.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.419 HG13 ' N ' ' A' ' 30' ' ' VAL . 43.3 t -97.23 140.58 17.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.419 ' N ' HG13 ' A' ' 29' ' ' VAL . 12.6 t -114.76 77.61 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.13 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -44.16 -73.07 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -174.64 163.09 3.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.8 m -114.39 154.39 28.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -141.6 165.95 26.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 55.26 42.9 29.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 37.7 mt -98.14 87.72 4.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.427 ' CD1' ' C ' ' A' ' 37' ' ' ILE . 1.8 pp -45.96 151.39 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -116.23 127.59 54.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -48.57 -24.54 1.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.6 t -145.53 118.67 8.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 42' ' ' ASP . 11.2 pt-20 -39.09 -45.13 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 41' ' ' GLU . 8.1 t70 -35.69 -50.43 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 158.62 148.47 5.19 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.517 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.3 p -131.97 155.9 47.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.908 0.385 . . . . 0.0 110.845 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.92 80.85 1.36 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.634 0.731 . . . . 0.0 110.851 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 144.7 55.0 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.665 2.243 . . . . 0.0 112.398 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -157.99 133.87 9.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 77.1 t -85.47 143.46 11.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.118 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 19.0 ttm180 -125.96 131.5 52.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.561 ' HE3' ' CD1' ' A' ' 79' ' ' PHE . 58.0 mtm -116.17 137.52 52.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -152.29 113.38 4.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.3 tp -73.15 93.45 1.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.533 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 72.8 mt -65.32 152.36 92.09 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.609 0.719 . . . . 0.0 110.918 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.5 Cg_endo -69.76 -34.96 2.87 Favored 'Cis proline' 0 C--N 1.341 0.152 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.345 -0.146 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 54' ' ' PRO . 2.3 m-20 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.431 ' HB3' ' CD2' ' A' ' 79' ' ' PHE . 66.4 mmt-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.882 0.372 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt -130.72 170.39 14.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 41.6 p -96.32 160.02 14.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 63.9 m-70 -53.04 167.84 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.873 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 95.4 t -110.18 109.43 28.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.426 ' OG ' ' CG2' ' A' ' 70' ' ' THR . 11.8 p -72.82 148.13 44.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 17.4 mtpt -121.21 140.66 51.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.943 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? 56.63 50.61 12.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.426 ' CG2' ' OG ' ' A' ' 67' ' ' SER . 4.3 t -163.38 142.8 8.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.153 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 72.3 mt -98.59 -31.11 12.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -108.89 81.65 1.57 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.628 0.728 . . . . 0.0 110.871 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.541 ' HB2' ' CZ ' ' A' ' 75' ' ' PHE . 53.5 Cg_endo -69.76 146.34 59.87 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.677 2.251 . . . . 0.0 112.376 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 63.1 t -131.03 115.71 30.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.541 ' CZ ' ' HB2' ' A' ' 73' ' ' PRO . 1.4 m-85 -113.59 -38.12 4.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.8 t70 46.91 35.35 3.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -89.99 161.16 16.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.97 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 27.9 t -130.51 118.18 20.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.839 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.561 ' CD1' ' HE3' ' A' ' 50' ' ' MET . 15.4 m-85 -103.26 160.37 14.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -140.87 152.49 45.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -149.37 118.25 6.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 42.7 p -68.75 91.07 0.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.846 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.0 p -143.28 136.34 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.109 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.431 ' C ' ' HD2' ' A' ' 86' ' ' PRO . 4.1 m -75.09 139.25 42.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.554 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 2.0 tp -46.25 -47.53 45.34 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.625 0.726 . . . . 0.0 110.884 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.554 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 65.3 Cg_exo -47.99 -30.81 14.56 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.735 2.29 . . . . 0.0 112.31 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -91.44 -43.45 9.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.904 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -64.81 -19.79 26.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.156 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.473 ' CG ' HD13 ' A' ' 85' ' ' LEU . 80.1 mt-30 -64.87 -55.95 16.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -73.82 -7.06 50.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -95.27 173.54 7.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 62.2 m -143.65 146.05 32.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.5 tp -91.21 104.18 16.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -74.35 100.2 3.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.415 HG12 ' CD1' ' A' ' 15' ' ' LEU . 21.6 t -111.32 100.88 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -116.99 124.84 50.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 53.8 t -104.72 117.84 51.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.59 -176.5 5.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.943 179.921 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.1 tp . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.85 0.357 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 42.4 mt -88.35 -31.04 19.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.413 ' C ' HD22 ' A' ' 133' ' ' LEU . . . -178.23 148.0 8.28 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.519 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 7.9 ptmm? -151.02 147.92 27.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.797 0.332 . . . . 0.0 110.94 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 12.1 p -147.84 129.04 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.124 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -93.67 144.24 25.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.419 HG22 ' CE2' ' A' ' 131' ' ' TYR . 95.5 t -124.67 118.95 54.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.081 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -77.92 108.16 10.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 5.9 mt -84.21 24.88 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -84.47 24.22 1.02 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.054 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 46.2 t -85.72 178.87 7.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.855 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -124.15 -21.19 5.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -83.23 17.46 2.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 9.6 mt -59.67 -47.82 84.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -45.14 -33.75 2.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.11 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 11.5 mmmt -83.73 -29.66 27.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 73.82 150.9 1.85 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.517 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 21.4 p90 -148.22 165.69 30.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.787 0.327 . . . . 0.0 110.939 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 93.2 m -135.44 130.19 34.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.115 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -161.21 156.12 23.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' TRP . . . . . 0.489 ' CE2' ' HB2' ' A' ' 14' ' ' GLN . 86.5 m95 -89.56 116.23 27.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . 0.419 ' CE2' HG22 ' A' ' 116' ' ' VAL . 31.5 m-85 -88.66 99.66 12.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.949 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -54.42 125.12 18.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.413 HD22 ' C ' ' A' ' 112' ' ' GLY . 28.8 mt -73.68 141.97 46.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' THR . . . . . 0.452 ' C ' ' CD1' ' A' ' 10' ' ' LEU . 82.4 p -125.34 -179.67 4.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.168 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -79.81 173.7 12.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.457 ' CB ' ' HG3' ' A' ' 12' ' ' GLN . 20.3 m . . . . . 0 C--O 1.231 0.086 0 CA-C-O 121.677 0.751 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -21.07 34.13 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.666 2.244 . . . . 0.0 112.339 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.413 ' CD1' ' HA ' ' A' ' 134' ' ' THR . 92.3 mt -93.5 -47.94 6.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 155.4 163.49 12.18 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.498 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.457 ' HG3' ' CB ' ' A' ' 8' ' ' SER . 23.0 mt-30 -125.25 166.7 16.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.762 0.315 . . . . 0.0 110.944 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 18.6 tt -159.03 128.92 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.525 ' NE2' ' NE1' ' A' ' 130' ' ' TRP . 29.9 tt0 -102.11 123.19 45.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.2 mt -136.39 139.67 42.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 88.9 m -103.75 104.61 14.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 25.0 mt -98.8 116.47 41.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 36.6 ttt180 -147.64 106.31 3.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.437 ' CE1' ' HB2' ' A' ' 85' ' ' LEU . 11.4 t-80 -98.4 117.23 32.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.829 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 24' ' ' ASN . 5.1 t -83.51 125.47 31.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.43 ' O ' ' ND2' ' A' ' 24' ' ' ASN . 35.9 t -66.28 -53.73 33.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -50.26 -51.14 47.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.963 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.7 mtm180 -82.23 -21.44 36.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.493 ' N ' ' O ' ' A' ' 20' ' ' SER . 0.9 OUTLIER 54.58 53.98 9.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.894 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.8 mttt -135.64 153.08 51.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.9 tp -110.99 105.97 14.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.1 mp -97.07 130.63 45.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 28.8 t -132.28 116.25 28.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.108 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.3 t -102.14 131.03 51.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.119 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 20.3 t -105.91 77.88 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.153 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -41.11 -74.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -174.98 161.6 2.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 71.9 m -107.46 160.69 15.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -153.23 160.9 42.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 61.0 m-20 57.52 45.02 20.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 74.3 mt -98.63 86.94 3.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.409 HD13 ' C ' ' A' ' 37' ' ' ILE . 2.3 pp -48.39 132.92 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.15 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -93.83 132.17 38.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.154 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -54.66 -23.08 15.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 41' ' ' GLU . 8.2 t -147.79 117.92 7.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 42' ' ' ASP . 31.9 mp0 -37.1 -45.56 0.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 41' ' ' GLU . 15.1 t70 -35.06 -50.42 0.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.834 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 147.57 137.07 2.88 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.524 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 53.6 m -122.21 167.58 13.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.859 0.362 . . . . 0.0 110.84 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.89 82.84 7.06 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.613 0.72 . . . . 0.0 110.896 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 144.06 52.81 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.688 2.259 . . . . 0.0 112.348 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 18.9 p90 -157.25 152.18 25.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.448 HG11 ' N ' ' A' ' 49' ' ' ARG . 79.6 t -99.74 156.83 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.14 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.448 ' N ' HG11 ' A' ' 48' ' ' VAL . 4.9 tpt180 -141.28 134.43 29.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.411 ' O ' ' CD1' ' A' ' 51' ' ' TYR . 48.4 mtm -119.57 139.12 52.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.411 ' CD1' ' O ' ' A' ' 50' ' ' MET . 11.6 m-85 -151.13 120.75 6.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.939 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.1 tp -79.08 93.27 5.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.519 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 54.3 mt -73.49 151.95 89.63 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.571 0.7 . . . . 0.0 110.909 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.519 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.5 Cg_endo -69.81 -32.47 3.92 Favored 'Cis proline' 0 C--O 1.231 0.174 0 C-N-CA 122.709 -1.788 . . . . 0.0 112.336 -0.08 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 54' ' ' PRO . 11.8 m-20 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.3 mmp_? . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.884 0.373 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.2 ptpp? -138.49 166.43 24.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 40.8 p -98.12 176.58 5.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 -62.53 156.08 24.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 45.0 t -106.82 100.75 11.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 67.0 m -74.95 146.64 41.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.8 mttm -123.13 156.55 34.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.892 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.8 mmtp 56.67 44.24 24.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.3 t -163.74 166.4 22.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.146 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 56.9 mt -121.2 -26.53 5.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -110.38 77.05 1.16 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.6 0.714 . . . . 0.0 110.869 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 144.63 54.75 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.743 2.296 . . . . 0.0 112.355 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 91.2 t -125.76 120.79 58.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -114.31 -49.4 2.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.1 t70 53.82 39.93 30.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -96.12 161.01 14.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.4 t -130.45 110.87 11.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.858 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.409 ' CD1' ' N ' ' A' ' 79' ' ' PHE . 7.6 m-85 -99.78 159.88 14.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.412 ' O ' ' CD1' ' A' ' 81' ' ' PHE . 0.1 OUTLIER -143.42 156.86 44.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.865 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.412 ' CD1' ' O ' ' A' ' 80' ' ' ASP . 9.2 m-85 -149.97 136.98 19.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 40.0 p -85.76 90.3 8.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.4 p -143.77 137.85 24.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.099 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.423 ' C ' ' HD2' ' A' ' 86' ' ' PRO . 3.3 m -73.82 135.49 43.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.849 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.529 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 1.1 tp -43.72 -48.85 20.28 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.632 0.73 . . . . 0.0 110.942 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.529 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 64.9 Cg_exo -47.97 -34.22 22.2 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.691 2.261 . . . . 0.0 112.378 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.63 -50.42 8.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.422 HG21 ' CD1' ' A' ' 118' ' ' LEU . 1.4 p -64.68 -14.38 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.176 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.463 ' HG3' ' CD1' ' A' ' 85' ' ' LEU . 8.0 mt-30 -65.86 -59.09 4.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.08 4.38 6.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.856 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 48.6 mtt-85 -98.04 172.88 7.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 38.8 m -137.71 133.65 34.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.157 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.7 tp -83.7 100.69 11.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.451 ' HA ' ' CD1' ' A' ' 115' ' ' LEU . 15.7 t70 -73.45 97.58 2.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 19.4 t -109.13 103.25 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -125.34 125.09 42.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.8 t -102.66 105.37 18.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.447 ' N ' ' HD3' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -119.59 -178.65 3.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 179.873 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 9.6 p30 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.3 tp . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.794 0.331 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 69.2 mt -67.23 -54.41 21.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -170.13 144.11 8.26 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.489 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -143.7 155.16 44.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 9.9 p -152.73 138.26 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.451 ' CD1' ' HA ' ' A' ' 94' ' ' ASP . 3.1 mm? -103.75 138.55 40.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 97.8 t -121.41 122.18 66.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.178 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -81.58 112.36 18.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.084 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.422 ' CD1' HG21 ' A' ' 88' ' ' VAL . 2.5 mt -89.51 20.57 3.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.933 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -83.65 10.94 8.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.09 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.2 m -71.59 166.95 20.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -108.06 -3.83 18.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -106.66 47.98 0.86 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 14.4 mt -89.56 -52.8 4.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -37.17 -36.32 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 35.7 mttp -81.84 -45.85 14.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 90.22 154.8 30.35 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 26.9 p90 -146.37 156.3 43.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.837 0.351 . . . . 0.0 110.943 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 86.4 m -128.11 127.92 43.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.146 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -161.6 167.27 25.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' TRP . . . . . 0.525 ' NE1' ' NE2' ' A' ' 14' ' ' GLN . 84.0 m95 -98.4 123.12 42.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.956 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -96.1 103.65 15.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.921 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -64.41 117.18 6.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 55.0 mt -64.61 153.85 38.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' THR . . . . . 0.413 ' HA ' ' CD1' ' A' ' 10' ' ' LEU . 72.7 p -140.47 177.37 8.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -75.59 164.96 25.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.831 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 87.0 p . . . . . 0 C--O 1.231 0.085 0 CA-C-O 121.645 0.736 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -21.62 33.36 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.688 2.259 . . . . 0.0 112.335 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 92.4 mt -92.1 -28.31 17.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.944 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 127.83 172.42 13.22 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -125.56 174.85 7.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.756 0.312 . . . . 0.0 110.927 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 7.0 tt -167.95 130.51 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.135 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -101.74 129.61 47.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.945 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.454 ' CD1' HG22 ' A' ' 95' ' ' VAL . 42.1 mt -134.63 123.81 24.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.6 m -87.84 103.57 15.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 33.5 mt -98.28 120.11 47.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 35.8 ttt180 -149.16 108.71 3.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 25.5 t-80 -102.65 113.83 27.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.2 t -79.81 127.65 32.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 77.5 p -69.73 -45.56 67.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -60.32 -50.24 74.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 34.9 mtt180 -77.77 -28.79 50.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 60.69 51.0 5.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -134.45 155.12 50.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 37.1 tp -109.5 106.32 16.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.3 mp -100.62 133.11 44.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.121 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.2 t -134.28 111.81 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.2 t -96.8 124.76 49.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.152 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 62.7 t -100.89 85.28 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.136 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -48.55 -75.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -174.15 160.72 3.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 87.1 m -109.45 158.38 18.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -146.5 162.57 38.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 59.19 42.91 17.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 66.2 mt -96.18 88.58 4.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.6 pp -42.93 149.19 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.117 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -111.87 112.74 24.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.166 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -42.46 -32.63 0.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 41' ' ' GLU . 8.8 t -142.41 116.81 9.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 42' ' ' ASP . 7.7 tp10 -35.76 -44.58 0.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 41' ' ' GLU . 0.6 OUTLIER -35.29 -49.49 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 148.19 149.79 5.05 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.499 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.2 p -132.33 166.01 22.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.904 0.383 . . . . 0.0 110.861 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -115.02 81.82 8.04 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.574 0.702 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 139.78 40.88 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.697 2.265 . . . . 0.0 112.359 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -150.39 136.98 18.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.567 HG23 ' CE1' ' A' ' 75' ' ' PHE . 44.0 t -87.2 136.76 22.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.15 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.521 ' HD2' ' CE1' ' A' ' 51' ' ' TYR . 36.2 ttp180 -121.93 144.46 48.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.817 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.554 ' HE1' ' CD1' ' A' ' 79' ' ' PHE . 42.8 mtm -129.37 125.65 37.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.521 ' CE1' ' HD2' ' A' ' 49' ' ' ARG . 3.8 m-85 -128.15 133.52 48.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.5 tp -89.94 91.5 8.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.521 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 2.1 mm? -79.46 154.06 76.44 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.592 0.711 . . . . 0.0 110.931 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.8 Cg_endo -69.77 -29.42 5.72 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.694 -1.794 . . . . 0.0 112.334 -0.079 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 54' ' ' PRO . 11.0 m-20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.869 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.883 0.373 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.2 pttm -144.0 169.79 17.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 68.2 p -98.13 174.22 6.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -58.46 156.09 10.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 67.4 t -99.22 104.65 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.185 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 33.8 m -78.83 145.45 34.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.4 mttt -121.71 158.32 29.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 23.4 mmtm 48.27 50.05 16.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.9 t -165.19 139.79 5.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 53.9 mt -96.32 -30.69 13.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 -110.11 81.66 2.25 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.604 0.716 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 139.66 40.92 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.731 2.287 . . . . 0.0 112.361 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.3 t -120.67 105.66 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.136 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.567 ' CE1' HG23 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -96.37 -51.08 4.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.3 t70 54.2 29.29 10.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -92.43 159.65 15.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.852 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.9 t -128.96 123.01 31.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.554 ' CD1' ' HE1' ' A' ' 50' ' ' MET . 25.1 m-85 -105.33 175.03 5.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -154.56 153.41 31.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -150.65 117.59 5.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 35.4 p -68.02 91.79 0.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.1 p -143.69 134.89 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.125 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.45 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 1.2 m -73.85 147.02 43.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.597 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 4.2 tp -51.39 -45.19 90.08 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.566 0.698 . . . . 0.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 65.1 Cg_exo -47.96 -39.45 32.53 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.694 2.263 . . . . 0.0 112.302 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -81.84 -58.86 2.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 1.4 p -51.0 -25.57 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.133 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.416 ' HG3' ' CD1' ' A' ' 85' ' ' LEU . 54.4 mt-30 -59.94 -47.16 86.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.0 ptp180 -81.77 -14.53 56.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 86.1 mtt-85 -82.36 177.99 8.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.0 m -146.28 143.08 28.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.3 tp -93.36 94.92 9.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.855 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.437 ' HB2' ' CD2' ' A' ' 53' ' ' LEU . 67.3 t0 -76.27 101.64 5.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.845 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.454 HG22 ' CD1' ' A' ' 15' ' ' LEU . 5.2 t -106.36 118.27 53.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.141 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -135.83 125.42 25.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 38.8 t -103.91 108.78 25.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.093 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.438 ' N ' ' HD3' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -126.36 -178.71 4.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.896 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 4.2 p30 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.43 HD12 ' CG ' ' A' ' 98' ' ' LYS . 8.8 tp . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.835 0.35 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 90.4 mt -83.32 -44.74 14.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -176.83 147.52 8.46 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.503 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.421 ' CA ' HD23 ' A' ' 133' ' ' LEU . 17.4 ptmt -146.24 152.1 38.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 0.0 110.87 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 7.8 p -144.81 127.64 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -89.67 153.37 20.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 54.6 t -136.87 132.0 47.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -91.88 116.14 28.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 6.6 mt -93.62 22.86 5.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -90.82 25.32 2.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.9 m -87.78 -179.32 6.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -118.88 -10.23 9.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -97.88 47.55 1.01 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 124' ' ' ALA . 15.2 mt -91.8 -57.5 2.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 123' ' ' LEU . . . -34.06 -36.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.068 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 123' ' ' LEU . 0.1 OUTLIER -80.53 -50.19 10.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.899 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 96.99 150.55 26.96 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.492 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 23.5 p90 -143.81 165.05 28.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.848 0.356 . . . . 0.0 110.944 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 85.3 m -139.92 123.99 17.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.145 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.581 ' CD ' ' CE1' ' A' ' 131' ' ' TYR . 8.4 pt20 -151.46 157.63 42.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' TRP . . . . . . . . . . . . . 62.9 m95 -92.01 110.85 22.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.933 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . 0.581 ' CE1' ' CD ' ' A' ' 129' ' ' GLN . 49.4 m-85 -88.62 106.58 18.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.926 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 30.0 p-10 -67.49 118.36 10.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.421 HD23 ' CA ' ' A' ' 113' ' ' LYS . 18.0 mt -62.61 133.83 55.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 58.6 p -122.68 176.59 5.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -71.4 163.27 28.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 179.991 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.706 0.765 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -23.49 30.73 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.704 2.27 . . . . 0.0 112.332 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.5 mt -87.0 -47.67 8.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 143.4 170.84 13.36 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.497 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -132.14 169.82 15.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.815 0.341 . . . . 0.0 110.918 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 7.2 tt -155.37 139.75 9.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.433 ' HB2' ' CE2' ' A' ' 130' ' ' TRP . 20.9 tt0 -103.61 124.94 49.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.956 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 73.7 mt -136.28 133.08 36.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.963 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.1 m -101.07 103.39 14.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.137 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 23.1 mt -99.48 122.8 51.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -153.83 110.99 3.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 24.1 t-80 -100.27 114.57 28.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.4 t -76.62 123.77 26.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.831 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.8 p -76.44 -11.25 59.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -94.36 -30.85 14.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.951 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -100.77 -25.28 14.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.3 m120 64.01 50.35 2.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -136.36 153.18 51.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.959 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 39.7 tp -110.22 106.37 15.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.436 HD12 ' N ' ' A' ' 27' ' ' ILE . 5.0 mp -97.59 137.11 26.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.4 t -140.44 113.49 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.096 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.418 HG12 ' N ' ' A' ' 30' ' ' VAL . 48.3 t -96.45 140.05 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.418 ' N ' HG12 ' A' ' 29' ' ' VAL . 13.8 t -120.99 87.88 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -54.64 -73.45 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -174.71 158.62 2.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 96.7 m -105.91 152.57 23.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 33.1 ptt85 -140.02 164.56 29.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 65.6 m-20 59.06 39.98 22.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.2 mt -95.56 95.66 8.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.6 pp -56.92 133.17 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -96.73 119.02 34.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -43.72 -33.32 1.21 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 38.7 t -138.96 122.44 17.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 42' ' ' ASP . 19.1 mt-10 -44.37 -40.53 5.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 41' ' ' GLU . 34.0 m-20 -36.39 -50.66 0.77 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 151.75 139.48 2.97 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.506 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.9 m -122.56 164.66 17.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.823 0.344 . . . . 0.0 110.895 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.409 ' HB3' ' CG1' ' A' ' 66' ' ' VAL . 1.2 m-20 -119.96 82.63 28.94 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.632 0.73 . . . . 0.0 110.894 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 138.39 37.78 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.667 2.245 . . . . 0.0 112.381 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.461 ' CE2' ' HG3' ' A' ' 49' ' ' ARG . 23.6 p90 -147.93 134.33 19.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.969 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.5 t -95.39 130.04 44.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.134 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.461 ' HG3' ' CE2' ' A' ' 47' ' ' TYR . 31.3 mtm180 -120.7 136.88 54.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.538 ' HE2' ' CD1' ' A' ' 79' ' ' PHE . 60.3 mtm -118.56 130.68 56.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.855 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -135.56 114.48 12.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.7 tp -72.7 80.77 1.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.939 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.534 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 83.8 mt -61.31 152.14 73.88 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.643 0.735 . . . . 0.0 110.88 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 54.0 Cg_endo -69.76 -45.1 0.44 Allowed 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.669 -1.805 . . . . 0.0 112.34 -0.15 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.901 0.381 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.45 ' CB ' ' HG2' ' A' ' 49' ' ' ARG . 8.5 ptmm? -144.24 170.92 15.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 29.3 p -103.83 166.29 10.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.213 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 15.3 t60 -52.66 160.21 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.887 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.409 ' CG1' ' HB3' ' A' ' 45' ' ' ASP . 46.6 t -104.56 99.95 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.087 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 73.5 m -71.94 137.58 47.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 56.9 mttt -117.05 147.42 42.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.456 ' N ' ' HD3' ' A' ' 69' ' ' LYS . 0.0 OUTLIER 61.42 52.46 3.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.831 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.6 t -169.73 138.05 1.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.168 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 89.3 mt -94.93 -22.83 17.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.934 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -113.02 78.72 3.15 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.63 0.728 . . . . 0.0 110.868 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 130.93 20.24 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.679 2.253 . . . . 0.0 112.342 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 4.8 p -127.16 121.12 57.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.101 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -112.78 -25.05 9.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 43.5 t0 41.91 33.75 0.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -95.79 160.0 14.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.3 t -131.03 122.9 27.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.538 ' CD1' ' HE2' ' A' ' 50' ' ' MET . 3.9 m-85 -103.56 169.32 8.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -153.19 147.17 25.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -142.84 120.69 11.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 36.6 p -68.42 90.08 0.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 6.9 p -143.84 132.07 18.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.109 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.435 ' C ' ' HD2' ' A' ' 86' ' ' PRO . 1.3 m -73.67 144.69 45.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.593 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 4.5 tp -51.73 -44.83 91.45 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.604 0.716 . . . . 0.0 110.931 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 65.1 Cg_exo -47.95 -31.76 16.43 Favored 'Trans proline' 0 N--CA 1.466 -0.138 0 C-N-CA 122.687 2.258 . . . . 0.0 112.363 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -93.27 -54.59 3.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 1.7 p -50.28 -36.7 13.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.474 ' HG3' ' CD1' ' A' ' 85' ' ' LEU . 27.5 mt-30 -47.3 -42.83 21.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.947 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -78.92 -32.78 45.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -66.18 -178.1 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.2 m -152.92 137.56 16.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.7 tp -83.14 107.45 15.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.969 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.406 ' OD1' ' C ' ' A' ' 94' ' ' ASP . 47.4 t0 -84.26 98.52 10.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 5.7 t -107.8 111.27 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.158 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -131.25 122.23 26.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.127 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 26.6 t -106.69 114.81 46.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.142 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.459 ' N ' ' HD3' ' A' ' 98' ' ' LYS . 0.1 OUTLIER -144.44 173.34 11.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.911 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 99' ' ' ASN . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 21.8 tp . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.81 0.338 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 13.8 mt -86.49 -45.21 11.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -171.77 130.48 1.95 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.46 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt -131.68 153.76 49.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.816 0.341 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 13.5 p -147.37 132.45 11.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -95.87 154.71 17.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 88.0 t -138.44 117.03 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -80.96 112.32 18.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.144 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 9.4 mt -84.85 24.48 1.05 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -88.05 23.26 2.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.106 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 41.1 t -98.02 163.83 12.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 31.6 mp0 -97.15 -24.11 15.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -56.12 -21.22 21.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.9 mt -44.05 -46.12 8.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -40.79 -41.03 1.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 10.6 mtmm -91.04 -56.74 3.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 112.92 151.5 11.06 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 17.7 p90 -148.95 164.17 35.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.823 0.344 . . . . 0.0 110.944 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 85.3 m -142.91 127.63 18.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.184 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -157.48 159.04 36.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.927 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' TRP . . . . . 0.433 ' CE2' ' HB2' ' A' ' 14' ' ' GLN . 84.0 m95 -86.28 105.28 16.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -76.55 101.59 5.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -56.23 118.49 4.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 67.5 mt -67.73 134.22 50.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 72.2 p -120.57 172.53 7.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.164 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -73.68 162.8 28.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.928 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 2.0 t70 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.962 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.5 p . . . . . 0 C--O 1.232 0.137 0 CA-C-O 121.615 0.722 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -18.07 37.16 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.692 2.262 . . . . 0.0 112.373 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 95.5 mt -96.45 -43.94 7.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 153.78 176.12 25.83 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.473 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -130.36 170.68 13.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.769 0.318 . . . . 0.0 110.906 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 18.2 tt -162.68 136.76 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -107.72 110.01 21.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 45.5 mt -122.99 135.57 54.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.4 m -102.92 108.27 19.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.154 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.45 ' CD1' HG13 ' A' ' 116' ' ' VAL . 20.6 mt -102.41 115.85 45.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.13 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 -148.47 115.76 6.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -97.51 112.73 24.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 24' ' ' ASN . 30.7 t -74.21 126.35 30.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 61.3 p -71.88 -43.71 64.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -66.04 -38.65 88.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.7 mtt-85 -91.88 -20.6 21.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 20' ' ' SER . 11.6 m120 51.81 51.69 16.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 47.4 mttt -137.28 150.88 48.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.6 tp -99.23 110.29 22.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.867 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.0 mp -101.54 130.95 50.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.19 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 48.9 t -134.34 112.37 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.2 t -94.15 141.22 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.3 t -118.21 77.72 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.172 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -42.73 -74.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -175.03 161.35 2.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 85.4 m -109.17 164.79 12.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.847 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -163.72 151.84 13.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.0 m120 71.62 51.43 0.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 36.0 mt -102.4 86.7 2.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.1 pp -38.74 132.47 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.49 142.21 28.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.086 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -53.03 -44.44 67.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.3 t -134.97 35.19 3.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 39.68 32.7 0.1 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -111.99 -35.92 5.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 146.08 114.54 0.87 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.502 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.4 m -115.12 165.78 12.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.849 0.357 . . . . 0.0 110.877 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.42 86.7 3.61 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.602 0.715 . . . . 0.0 110.836 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 142.17 47.09 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.653 2.235 . . . . 0.0 112.336 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 9.5 p90 -159.96 133.66 7.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 40.0 t -92.32 146.03 6.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 -137.49 138.75 40.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 59.9 mtm -116.08 140.61 49.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.439 ' O ' ' CD2' ' A' ' 53' ' ' LEU . 17.0 m-85 -145.55 113.62 6.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.4 tp -72.16 88.38 1.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.519 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 3.7 mm? -63.88 156.12 74.58 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.621 0.724 . . . . 0.0 110.889 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.519 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 54.0 Cg_endo -69.73 -35.15 2.8 Favored 'Cis proline' 0 C--N 1.342 0.212 0 C-N-CA 122.632 -1.82 . . . . 0.0 112.38 -0.213 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.854 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.458 ' HB3' ' CD2' ' A' ' 79' ' ' PHE . 23.6 mmt85 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.87 0.367 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -140.92 167.82 21.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.403 ' HB ' ' CG ' ' A' ' 75' ' ' PHE . 68.0 p -98.77 167.15 10.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.195 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -53.46 157.55 2.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.904 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 20.8 t -110.29 102.64 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.6 m -78.14 153.27 32.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.8 mtpt -122.99 146.03 47.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.65 53.58 8.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.3 t -163.71 137.46 5.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.109 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.3 mp -92.58 -26.88 17.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -122.13 85.15 46.23 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.614 0.721 . . . . 0.0 110.91 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -175.03 1.03 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.712 2.274 . . . . 0.0 112.359 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.4 t -156.74 126.0 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.14 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.403 ' CG ' ' HB ' ' A' ' 64' ' ' THR . 11.7 m-85 -125.08 -50.68 1.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.889 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.8 t70 57.66 32.22 21.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -96.33 154.56 17.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.3 t -131.01 117.22 18.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.458 ' CD2' ' HB3' ' A' ' 62' ' ' ARG . 5.7 m-85 -101.84 167.76 9.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.868 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -149.33 156.23 41.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -145.54 124.62 12.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 62.9 p -70.31 91.03 0.72 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.7 p -143.44 141.82 25.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.109 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.463 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 1.6 m -80.83 147.7 30.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.607 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 8.0 tp -52.73 -44.53 95.82 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.637 0.732 . . . . 0.0 110.936 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.607 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 64.6 Cg_exo -47.95 -38.6 31.48 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.693 2.262 . . . . 0.0 112.344 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -84.4 -57.03 3.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -49.78 -27.23 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.43 ' HG3' ' CD1' ' A' ' 85' ' ' LEU . 62.7 mt-30 -59.14 -49.74 76.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 25.1 mtp85 -78.75 -4.72 50.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 60.8 mtt-85 -97.44 171.2 8.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.432 HG21 ' N ' ' A' ' 93' ' ' LEU . 32.6 m -139.4 150.06 44.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.132 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.432 ' N ' HG21 ' A' ' 92' ' ' THR . 4.6 tp -94.31 100.03 12.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.474 ' CB ' ' CD2' ' A' ' 53' ' ' LEU . 0.5 OUTLIER -76.07 99.9 4.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.815 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 6.1 t -111.05 113.47 44.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -135.81 126.81 27.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 67.7 t -100.69 100.23 9.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.146 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.27 -176.47 3.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 14.4 p-10 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.955 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 21.9 tp . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.831 0.348 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 35.4 mt -78.56 -39.79 36.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.95 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 175.57 149.77 7.58 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.504 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 7.5 pttt -152.97 158.81 42.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.791 0.329 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.427 HG21 ' N ' ' A' ' 115' ' ' LEU . 7.7 p -149.75 141.42 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.131 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.427 ' N ' HG21 ' A' ' 114' ' ' VAL . 3.8 mm? -103.97 144.65 31.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.45 HG13 ' CD1' ' A' ' 17' ' ' ILE . 87.5 t -130.13 122.98 55.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.114 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -81.76 113.05 19.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 18.4 mt -88.49 20.46 3.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -83.43 16.07 2.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.089 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.9 m -94.42 157.31 16.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -91.74 -27.43 18.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -50.91 -18.29 0.74 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 14.0 mt -48.71 -31.38 6.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -52.27 -35.93 51.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.079 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 31.4 mtpt -98.91 -48.38 4.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 105.4 154.53 21.93 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.482 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 16.8 p90 -146.58 155.8 42.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.85 0.357 . . . . 0.0 110.912 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 91.6 m -131.22 131.28 43.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -160.77 162.85 32.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.958 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' TRP . . . . . . . . . . . . . 75.9 m95 -92.47 105.57 17.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -74.58 103.46 4.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.937 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -63.0 116.58 5.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 38.3 mt -62.69 138.47 58.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 25.4 p -130.56 -177.07 4.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -77.31 159.33 29.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.817 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.2 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.65 0.738 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -24.28 29.79 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.649 2.232 . . . . 0.0 112.373 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.4 mt -79.74 -44.66 20.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 143.81 -157.02 26.92 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.479 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -154.7 166.61 32.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 0.0 110.947 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 9.9 tt -148.87 128.95 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.425 ' HB2' ' CE2' ' A' ' 130' ' ' TRP . 28.0 tt0 -99.08 115.12 28.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.2 mt -134.5 156.58 48.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 98.1 m -115.71 105.53 12.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 22.8 mt -98.75 116.02 40.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.095 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -148.38 116.67 6.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 -98.26 113.08 24.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 24' ' ' ASN . 25.2 t -78.69 126.53 30.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 26.6 p -70.17 -46.65 64.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -59.96 -48.54 81.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.7 -27.78 33.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 20' ' ' SER . 7.1 m120 58.89 47.67 12.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.5 mttm -133.44 155.98 48.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.1 tp -106.37 106.03 16.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.4 mp -95.68 121.86 46.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.132 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 38.6 t -123.84 111.11 27.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.5 t -95.07 146.39 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.7 t -126.17 96.08 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -65.3 -72.54 0.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -174.31 157.2 2.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 27.0 m -106.92 152.29 24.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.569 ' HD3' ' CH2' ' A' ' 130' ' ' TRP . 20.7 ptt85 -142.02 159.3 42.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.847 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 62.1 46.59 6.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 29.7 mt -101.88 96.34 6.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.47 ' O ' ' CD1' ' A' ' 37' ' ' ILE . 2.8 pp -59.27 125.95 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.61 124.5 34.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.115 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -47.24 -32.39 4.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 41' ' ' GLU . 28.7 m -136.3 114.22 11.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.825 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 40' ' ' SER . 28.0 mt-10 -37.5 -42.9 0.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.922 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 41' ' ' GLU . 19.1 t0 -36.74 -46.65 0.62 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.832 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 150.74 144.6 3.95 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 51.3 p -131.54 153.67 49.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.874 0.369 . . . . 0.0 110.861 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.08 82.9 1.61 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.611 0.72 . . . . 0.0 110.855 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 141.31 44.72 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.664 2.242 . . . . 0.0 112.347 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 12.8 p90 -151.24 139.1 19.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 50.6 t -85.2 146.02 7.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.158 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.3 ttt180 -127.11 133.28 50.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.553 ' HE2' ' CD1' ' A' ' 79' ' ' PHE . 60.2 mtm -125.24 129.13 49.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -140.33 138.74 35.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.3 tp -93.26 87.96 5.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.977 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.522 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 2.5 mm? -66.98 154.62 92.03 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.579 0.704 . . . . 0.0 110.915 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.9 Cg_endo -69.78 -38.98 1.44 Allowed 'Cis proline' 0 C--N 1.341 0.153 0 C-N-CA 122.672 -1.804 . . . . 0.0 112.376 -0.129 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.3 t70 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.925 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.869 0.366 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -146.19 171.31 15.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 74.0 p -96.19 166.35 11.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -51.37 160.62 0.55 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 26.1 t -109.48 104.62 17.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.7 t -79.41 140.35 37.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.81 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 35.0 mttp -117.5 156.27 28.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.883 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.8 mmmt 56.19 45.85 22.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.6 t -161.64 146.62 13.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.158 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 70.5 mt -99.5 -34.6 10.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 18.3 p-10 -109.82 81.17 1.9 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.612 0.72 . . . . 0.0 110.899 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 142.85 49.03 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.731 2.287 . . . . 0.0 112.35 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.7 t -126.74 122.15 60.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -110.88 -62.63 1.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.9 t0 74.27 28.62 1.36 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -96.2 156.12 16.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 44.4 t -130.14 125.03 34.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.553 ' CD1' ' HE2' ' A' ' 50' ' ' MET . 2.2 m-85 -112.25 163.23 14.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -146.33 149.62 34.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -138.33 129.56 27.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 78.4 p -73.41 92.74 1.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.811 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.7 p -143.68 133.68 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.465 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 1.2 m -74.96 147.65 40.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.609 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 4.2 tp -52.86 -44.54 96.51 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.616 0.722 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 64.9 Cg_exo -48.02 -34.44 23.08 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.644 2.229 . . . . 0.0 112.357 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -90.48 -53.95 4.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -49.32 -31.84 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.185 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -55.47 -54.99 37.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.969 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.478 ' HB2' ' CZ ' ' A' ' 90' ' ' ARG . 15.5 mtm105 -71.95 -26.02 62.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -78.24 168.44 19.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.9 m -135.6 151.22 50.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.145 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.4 tp -94.56 101.01 12.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.439 ' CB ' HD22 ' A' ' 53' ' ' LEU . 0.9 OUTLIER -74.71 99.91 3.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 179.848 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 32.5 t -112.63 101.44 12.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.158 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -125.61 127.12 45.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 84.1 t -97.06 98.77 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.107 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -113.11 172.62 6.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.3 p30 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 179.965 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 27.8 tp . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.825 0.345 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 27.4 mt -79.81 -33.14 40.66 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 175.76 141.22 3.71 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.465 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.3 ptmm? -137.76 152.94 49.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.811 0.338 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 7.2 p -148.13 126.4 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.16 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.421 ' N ' HD22 ' A' ' 115' ' ' LEU . 3.9 mm? -96.0 146.61 24.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 78.3 t -129.52 108.72 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.23 107.54 1.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.12 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 9.2 mt -82.33 17.37 1.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -85.54 15.56 4.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.5 t -91.97 151.9 20.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.857 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -82.4 -23.57 34.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -56.26 -14.38 2.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 30.9 mt -58.56 -24.4 60.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -62.3 -25.22 67.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.09 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 52.7 mttm -107.9 -52.83 2.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 111.44 140.57 8.25 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.544 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 20.1 p90 -137.57 158.03 45.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.853 0.359 . . . . 0.0 110.899 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 89.0 m -138.79 129.36 26.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.514 ' OE1' ' N ' ' A' ' 130' ' ' TRP . 0.1 OUTLIER -162.15 162.78 28.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.943 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' TRP . . . . . 0.569 ' CH2' ' HD3' ' A' ' 34' ' ' ARG . 78.1 m95 -81.42 100.9 9.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . 0.44 ' CE1' ' HG3' ' A' ' 129' ' ' GLN . 20.4 m-85 -72.8 103.28 3.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -60.76 131.64 51.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.847 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 95.0 mt -80.32 157.91 26.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 4.7 p -145.91 170.61 16.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -75.82 165.45 24.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.949 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 45.6 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.678 0.751 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -33.67 16.05 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.676 2.251 . . . . 0.0 112.328 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.465 ' CD1' ' HA ' ' A' ' 134' ' ' THR . 15.3 mt -75.52 -51.28 13.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.894 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.479 ' CA ' ' O ' ' A' ' 35' ' ' ASN . . . 144.35 173.34 15.65 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.492 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -125.46 167.21 15.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.824 0.345 . . . . 0.0 110.876 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.3 tt -154.88 133.09 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.192 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -101.85 121.6 42.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.453 ' CD2' HG23 ' A' ' 30' ' ' VAL . 30.3 mt -135.2 129.6 33.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.2 m -96.64 105.22 17.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.121 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 15.1 mt -98.79 124.27 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.16 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -154.02 109.08 3.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.495 ' CE1' ' HB2' ' A' ' 85' ' ' LEU . 19.0 t-80 -97.7 103.69 15.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.7 t -66.96 131.2 45.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 89.4 p -82.11 -6.61 59.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 12.8 tp60 -96.56 -39.76 9.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -93.91 -10.74 32.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.867 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 50.3 43.7 26.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.3 mttm -129.26 160.11 34.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 21.5 tp -114.92 107.86 15.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.3 mp -98.56 137.98 24.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.126 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.2 t -139.57 108.75 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.093 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 19.3 t -92.53 131.09 40.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.131 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.453 HG23 ' CD2' ' A' ' 15' ' ' LEU . 71.0 t -111.05 86.04 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.141 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -52.21 -71.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -174.93 161.77 3.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.081 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 68.0 m -108.05 169.24 8.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.463 ' CZ ' ' HB3' ' A' ' 34' ' ' ARG . 4.0 ptp180 -152.47 170.67 19.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.479 ' O ' ' CA ' ' A' ' 11' ' ' GLY . 2.3 m-80 46.81 47.93 15.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.0 mt -102.84 89.92 3.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.946 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.6 pp -45.62 152.43 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -117.66 125.22 50.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.077 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -44.47 -32.57 1.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 41' ' ' GLU . 22.9 t -144.05 125.92 15.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 42' ' ' ASP . 21.6 tt0 -37.62 -45.58 0.78 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 41' ' ' GLU . 88.0 m-20 -34.77 -50.07 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 143.37 145.31 4.39 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.457 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.8 m -122.87 166.99 14.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.894 0.378 . . . . 0.0 110.855 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.29 82.24 2.59 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.599 0.714 . . . . 0.0 110.844 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 142.85 48.9 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.666 2.244 . . . . 0.0 112.345 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -156.7 136.19 12.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 80.1 t -85.24 153.42 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.12 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 21.6 ttt180 -135.63 134.1 38.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 66.2 mtm -125.43 118.66 26.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -131.28 113.73 14.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.9 tp -68.53 90.97 0.4 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.931 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.527 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 46.8 mt -69.84 151.71 96.24 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.605 0.716 . . . . 0.0 110.911 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 54.0 Cg_endo -69.79 -30.93 4.87 Favored 'Cis proline' 0 C--O 1.232 0.205 0 C-N-CA 122.664 -1.807 . . . . 0.0 112.339 -0.147 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 54' ' ' PRO . 3.1 t70 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.872 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 5.5 tpt85 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.895 0.379 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.4 pttt -141.5 171.25 14.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 59.8 p -98.36 174.0 6.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.168 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -56.1 174.52 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.852 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 67.6 t -120.87 99.36 7.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 74.9 m -76.84 148.33 36.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -123.38 157.49 33.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.6 mptt 53.45 54.28 10.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.8 t -168.99 136.3 1.86 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.16 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 94.7 mt -91.51 -30.9 16.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.936 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -109.96 77.55 1.14 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.631 0.729 . . . . 0.0 110.941 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 147.28 62.28 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.7 2.267 . . . . 0.0 112.319 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.422 HG21 ' N ' ' A' ' 75' ' ' PHE . 3.5 p -140.1 133.62 35.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.092 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.422 ' N ' HG21 ' A' ' 74' ' ' VAL . 0.4 OUTLIER -124.56 -30.37 3.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.7 t70 46.71 36.74 3.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.841 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -97.74 157.66 15.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.4 t -126.73 119.57 27.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -100.38 170.05 8.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -147.95 150.17 33.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -145.94 126.39 14.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 57.6 p -72.01 92.19 1.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.819 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.3 p -143.49 133.55 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.477 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 1.8 m -75.78 147.89 38.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.605 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 0.3 OUTLIER -52.31 -44.66 94.02 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.641 0.734 . . . . 0.0 110.951 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 66.1 Cg_exo -47.99 -40.56 33.29 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.683 2.255 . . . . 0.0 112.333 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 89' ' ' GLN . 0.2 OUTLIER -80.83 -64.05 1.27 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.411 HG12 ' N ' ' A' ' 89' ' ' GLN . 1.8 p -40.56 -24.63 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.088 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.529 ' NE2' ' CD1' ' A' ' 85' ' ' LEU . 49.2 mt-30 -57.25 -44.68 84.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 -92.61 -23.98 18.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.403 ' HG3' ' HA ' ' A' ' 88' ' ' VAL . 13.3 mmp_? -59.34 167.04 1.99 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.9 m -136.66 130.46 32.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.168 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.4 tp -85.72 103.73 14.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -76.68 97.43 4.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.835 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 20.3 t -108.56 100.98 11.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -125.28 127.49 46.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.112 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 96.3 t -100.14 98.77 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -112.98 -177.27 3.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.8 p30 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.938 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 15.3 tp . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.847 0.356 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 76.0 mt -75.57 -45.72 36.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -173.7 149.73 11.25 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.502 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -154.77 154.66 33.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.769 0.318 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 5.6 p -152.74 122.95 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.141 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -88.19 146.63 25.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 59.5 t -133.22 129.3 56.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.13 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -90.78 114.54 26.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 10.0 mt -85.89 28.87 0.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -84.43 29.51 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.087 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 41.4 m -96.44 167.54 11.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -105.97 -17.86 14.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -92.98 47.09 1.25 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.46 HD23 ' CZ3' ' A' ' 127' ' ' TRP . 12.7 mt -88.99 -51.98 5.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -41.39 -44.35 2.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 10.6 mtmm -67.72 -42.08 82.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 87.91 151.2 21.56 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.498 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . 0.46 ' CZ3' HD23 ' A' ' 123' ' ' LEU . 18.5 p90 -148.66 154.66 39.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.866 0.365 . . . . 0.0 110.882 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 87.4 m -122.83 137.35 54.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -168.09 155.8 8.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' TRP . . . . . . . . . . . . . 82.5 m95 -92.63 111.19 22.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -83.78 106.65 15.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -61.47 124.79 21.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 48.2 mt -65.25 156.94 30.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' THR . . . . . 0.465 ' HA ' ' CD1' ' A' ' 10' ' ' LEU . 82.7 p -148.22 162.33 39.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.157 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -78.33 162.3 26.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.831 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 8.7 t0 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.904 179.924 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 55.4 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.718 0.771 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -20.09 35.29 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.742 2.295 . . . . 0.0 112.319 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.4 mt -100.45 -34.45 9.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 134.19 -166.47 24.08 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.472 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.7 mp0 -140.39 -177.62 5.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.727 0.298 . . . . 0.0 110.916 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.5 tt -168.55 127.91 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.493 ' HB2' ' CE2' ' A' ' 130' ' ' TRP . 12.7 tt0 -101.25 125.75 47.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.3 mt -136.43 130.18 32.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.0 m -93.41 108.48 20.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.173 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 52.8 mt -100.86 119.77 49.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -149.32 109.03 4.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 -100.65 107.57 19.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.876 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.3 t -73.15 143.71 47.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.821 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.9 p -83.48 -45.71 13.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.842 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.421 ' CD ' ' O ' ' A' ' 22' ' ' GLN . 1.5 tm0? -60.77 -23.45 65.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -108.08 -24.89 11.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.1 m120 57.16 35.9 26.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.4 mttt -119.6 152.14 37.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.7 tp -104.83 104.83 14.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.2 mp -95.55 133.45 36.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.101 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.6 t -135.29 113.74 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.1 t -98.02 127.33 50.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.9 t -101.04 85.58 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -48.3 -75.15 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -175.09 159.79 2.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.151 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.5 m -106.44 167.83 9.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.2 ptm85 -156.84 162.74 39.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 37.9 m-20 56.0 49.76 15.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 85.3 mt -97.95 86.69 3.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.0 pp -40.8 139.41 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.124 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.411 ' HB1' ' N ' ' A' ' 41' ' ' GLU . . . -97.4 129.52 44.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.109 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -38.87 -41.77 0.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.5 t -132.09 29.24 4.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.411 ' N ' ' HB1' ' A' ' 38' ' ' ALA . 17.5 mt-10 39.38 33.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -117.37 -38.11 3.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 151.77 108.57 0.39 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.482 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.4 m -112.44 177.81 4.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.9 0.381 . . . . 0.0 110.88 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 45' ' ' ASP . 0.1 OUTLIER -111.09 81.25 2.66 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.585 0.707 . . . . 0.0 110.902 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 137.95 36.8 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.717 2.278 . . . . 0.0 112.341 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.466 ' CB ' HG23 ' A' ' 66' ' ' VAL . 2.9 p90 -156.98 142.29 17.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.906 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 40.0 t -89.4 157.91 2.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.147 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -144.15 123.38 12.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.475 ' HE2' ' CG ' ' A' ' 79' ' ' PHE . 61.4 mtm -111.75 131.14 55.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -141.85 117.51 10.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.0 tp -68.92 91.25 0.46 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.913 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.532 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 58.3 mt -71.73 151.41 93.39 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.631 0.729 . . . . 0.0 110.877 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 54.5 Cg_endo -69.7 -37.21 2.06 Favored 'Cis proline' 0 C--N 1.342 0.218 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.399 -0.189 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.459 ' C ' ' O ' ' A' ' 54' ' ' PRO . 86.3 m-20 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.845 0.355 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.7 ptpp? -141.71 171.3 14.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 70.4 p -96.24 173.13 7.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.196 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.47 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 9.3 m-70 -61.12 132.53 54.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.466 HG23 ' CB ' ' A' ' 47' ' ' TYR . 41.7 t -88.12 105.99 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 69.3 m -85.9 153.87 21.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.831 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.1 mttp -123.08 144.24 49.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.4 mptt 63.02 43.68 6.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.0 t -154.45 138.71 16.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.468 ' N ' HD13 ' A' ' 71' ' ' LEU . 2.0 mp -93.56 -36.29 12.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.947 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 35.9 p-10 -111.5 79.41 2.3 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.622 0.725 . . . . 0.0 110.888 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 75' ' ' PHE . 54.3 Cg_endo -69.73 145.06 56.17 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.675 2.25 . . . . 0.0 112.377 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.3 t -121.48 135.4 61.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.088 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 73' ' ' PRO . 7.9 m-85 -133.07 -37.59 0.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.0 t70 43.9 29.63 0.33 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -83.33 163.03 20.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.5 t -124.1 120.87 33.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.475 ' CG ' ' HE2' ' A' ' 50' ' ' MET . 1.9 m-85 -100.86 167.69 10.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -154.07 149.87 27.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -150.76 125.95 9.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 54.9 p -74.17 90.52 2.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.812 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.4 p -143.7 135.44 23.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.106 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.486 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 0.7 OUTLIER -75.24 149.02 38.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.855 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.611 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 7.5 tp -53.12 -44.29 96.79 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.619 0.723 . . . . 0.0 110.922 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 65.3 Cg_exo -48.07 -37.9 31.21 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.66 2.24 . . . . 0.0 112.342 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 89' ' ' GLN . 3.9 mp0 -81.71 -69.79 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.438 ' CG2' HD12 ' A' ' 118' ' ' LEU . 1.5 p -40.16 -27.33 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.089 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 87' ' ' GLU . 56.1 mt-30 -60.28 -52.0 67.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -84.37 7.21 20.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.835 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 32.6 mtp85 -110.09 165.45 11.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 10.9 m -127.06 145.38 50.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.6 tp -90.59 110.06 21.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.461 ' HB2' ' CD1' ' A' ' 53' ' ' LEU . 8.0 t70 -77.67 105.48 8.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 15.4 t -119.93 102.91 13.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.108 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -123.47 132.3 53.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.078 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 60.3 t -113.13 104.79 17.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.98 172.59 12.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.41 ' OD1' ' C ' ' A' ' 99' ' ' ASN . 9.1 t30 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.7 tp . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.82 0.343 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 16.6 mt -92.16 -44.13 8.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -172.83 151.03 13.16 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.494 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 10.0 ptmm? -150.22 161.0 43.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.806 0.336 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 14.3 p -159.15 130.99 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -97.53 148.93 22.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 93.7 t -128.79 134.86 63.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.133 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -87.48 113.08 22.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.438 HD12 ' CG2' ' A' ' 88' ' ' VAL . 9.9 mt -89.94 21.98 3.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -86.97 28.65 0.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.045 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.1 m -91.3 172.95 8.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.85 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -110.17 -28.62 8.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -82.78 48.94 1.4 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 12.6 mt -88.29 -48.13 7.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -46.35 -38.16 8.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.108 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 24.4 mttp -77.19 -37.24 53.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 82.46 154.37 14.55 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.464 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 17.2 p90 -148.15 158.6 44.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.84 0.352 . . . . 0.0 110.939 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 85.6 m -129.0 134.23 48.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.125 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -167.82 155.86 8.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' TRP . . . . . 0.493 ' CE2' ' HB2' ' A' ' 14' ' ' GLN . 68.3 m95 -90.31 121.43 32.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -92.48 102.59 15.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -56.32 120.74 8.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 20.4 mt -67.39 153.11 44.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 35.3 p -144.5 170.23 16.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -76.28 158.5 31.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.413 ' CB ' ' HG3' ' A' ' 12' ' ' GLN . 64.9 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.618 0.723 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -25.11 28.77 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.676 2.251 . . . . 0.0 112.33 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 95.6 mt -100.79 -34.39 9.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 141.6 -176.42 21.88 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.413 ' HG3' ' CB ' ' A' ' 8' ' ' SER . 35.8 mt-30 -141.16 158.45 43.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.78 0.324 . . . . 0.0 110.944 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.463 ' CD1' HG13 ' A' ' 48' ' ' VAL . 19.3 tt -148.62 131.23 6.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.084 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.508 ' HB2' ' CE2' ' A' ' 130' ' ' TRP . 24.0 tt0 -98.78 119.13 37.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 46.4 mt -134.2 130.35 37.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 46.4 m -97.81 110.64 23.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 26.2 mt -99.72 123.07 52.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.155 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -152.59 111.59 3.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.43 ' ND1' ' C ' ' A' ' 19' ' ' HIS . 3.9 t-80 -103.42 117.65 34.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.824 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 24' ' ' ASN . 9.7 t -84.55 124.93 31.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 60.9 p -69.65 -35.22 75.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.821 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -66.45 -48.73 69.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.943 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.453 ' C ' ' CG ' ' A' ' 24' ' ' ASN . 24.8 mtp180 -87.25 -14.24 41.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.453 ' CG ' ' C ' ' A' ' 23' ' ' ARG . 0.7 OUTLIER 48.8 52.64 13.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.82 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.411 ' HE3' ' NH2' ' A' ' 23' ' ' ARG . 30.3 mttt -137.08 145.79 44.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.7 tp -99.32 108.71 21.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.9 mp -100.17 126.61 53.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 18.0 t -131.65 116.01 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.8 t -94.46 148.6 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.4 t -125.47 84.34 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.176 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -51.71 -73.62 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -172.83 167.39 5.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 71.6 m -114.59 154.43 28.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -143.77 165.08 28.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 52.03 48.67 22.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 76.3 mt -99.56 93.62 5.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.952 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.9 pp -51.64 149.08 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -114.99 130.6 56.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.068 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -48.24 -28.2 2.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 35.4 t -147.19 129.37 15.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -43.94 -40.21 4.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -38.94 -40.52 0.66 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 136.18 162.63 9.6 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.448 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.1 m -149.16 172.09 15.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.865 0.364 . . . . 0.0 110.866 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.43 84.97 15.38 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.636 0.731 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 144.93 55.58 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.666 2.244 . . . . 0.0 112.395 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -156.29 142.8 18.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.463 HG13 ' CD1' ' A' ' 13' ' ' ILE . 46.3 t -98.71 140.73 17.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.127 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.452 ' N ' HG12 ' A' ' 48' ' ' VAL . 56.1 ttp180 -123.18 160.96 25.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.452 ' HE2' ' CG ' ' A' ' 79' ' ' PHE . 51.2 mtm -142.78 120.84 12.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.417 ' CE1' ' HD2' ' A' ' 49' ' ' ARG . 3.5 m-85 -128.76 126.83 40.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.6 tp -78.06 86.56 4.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.903 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.521 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 50.1 mt -67.74 155.46 91.42 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.606 0.717 . . . . 0.0 110.883 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.6 Cg_endo -69.76 -50.35 0.19 OUTLIER 'Cis proline' 0 C--O 1.232 0.184 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.343 -0.163 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 54' ' ' PRO . 3.2 m-20 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 47.8 mmt-85 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.863 0.363 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.2 ptmt -130.79 170.2 14.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 58.2 p -98.25 168.04 10.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.159 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -52.57 150.55 4.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.435 ' O ' ' CG1' ' A' ' 66' ' ' VAL . 10.4 p -111.55 99.53 8.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.096 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.4 m -73.95 152.65 40.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -120.89 161.82 20.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp 52.4 40.64 29.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.6 t -156.27 148.69 23.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.146 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 34.3 mt -105.67 -17.21 14.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -123.09 80.8 51.42 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.608 0.718 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 154.86 67.33 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.386 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 59.4 t -135.3 128.24 48.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.106 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -121.44 -64.06 1.26 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.9 t70 69.16 34.76 2.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.932 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -100.67 156.58 17.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.1 t -126.63 120.86 30.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.831 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.452 ' CG ' ' HE2' ' A' ' 50' ' ' MET . 3.3 m-85 -98.02 171.8 8.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -152.29 144.73 24.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -142.32 121.25 12.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 34.1 p -68.2 89.86 0.33 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.8 p -143.7 136.13 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.424 ' C ' ' HD2' ' A' ' 86' ' ' PRO . 1.0 OUTLIER -74.77 144.18 43.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.855 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.566 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 3.2 tp -49.41 -46.28 77.74 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.606 0.717 . . . . 0.0 110.919 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.566 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 65.3 Cg_exo -47.96 -40.91 33.24 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.701 2.267 . . . . 0.0 112.333 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -79.69 -49.64 11.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -62.77 -16.87 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -61.59 -54.33 44.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.942 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.12 -30.68 58.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 85.9 mtt-85 -65.74 172.6 3.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.7 m -141.9 144.58 33.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.0 tp -87.15 109.78 19.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.5 101.87 10.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 18.2 t -112.87 109.61 29.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -132.51 131.63 41.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.107 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 84.1 t -107.05 105.73 19.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.01 177.66 4.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.1 p30 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.932 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.0 tp . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.813 0.339 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 44.5 mt -82.09 -41.56 20.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 179.12 152.94 11.0 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.491 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.455 ' N ' HD23 ' A' ' 133' ' ' LEU . 13.8 ptmt -153.02 153.21 32.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.814 0.34 . . . . 0.0 110.877 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 7.3 p -148.19 126.37 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.157 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -92.5 147.96 22.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 69.7 t -131.87 118.96 39.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.087 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.91 111.13 10.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 11.2 mt -87.01 19.15 3.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -82.85 8.52 12.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 96.6 p -74.73 165.03 25.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -104.05 -8.58 19.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -75.03 -9.15 58.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 12.6 mt -51.29 -32.74 25.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -50.66 -29.64 11.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -113.38 -51.91 2.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 108.78 156.39 17.86 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.486 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 36.5 p90 -145.93 154.98 42.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.806 0.336 . . . . 0.0 110.965 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 27.2 m -120.66 130.82 54.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.104 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -163.63 160.39 22.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.941 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' TRP . . . . . 0.508 ' CE2' ' HB2' ' A' ' 14' ' ' GLN . 81.0 m95 -93.75 120.04 33.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -88.93 102.35 14.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -56.99 117.8 4.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.455 HD23 ' N ' ' A' ' 113' ' ' LYS . 14.1 mt -64.72 133.19 51.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 81.6 p -121.73 -179.75 4.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -85.65 164.08 17.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.867 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 62.8 m . . . . . 0 C--O 1.231 0.09 0 CA-C-O 121.664 0.745 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -20.37 34.85 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.651 2.234 . . . . 0.0 112.303 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.424 ' CD1' ' C ' ' A' ' 134' ' ' THR . 95.8 mt -92.98 -46.04 7.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 146.64 -169.65 27.78 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.516 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -144.16 158.86 43.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.792 0.33 . . . . 0.0 110.929 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 tt -154.36 134.77 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.447 ' OE1' ' CD1' ' A' ' 130' ' ' TRP . 6.4 tt0 -104.46 123.87 48.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.464 ' CD1' HG11 ' A' ' 95' ' ' VAL . 21.7 mt -132.6 124.31 28.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.9 m -88.22 108.08 19.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.187 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 53.3 mt -101.52 122.23 53.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.143 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.457 ' HG3' ' CA ' ' A' ' 126' ' ' GLY . 13.7 ttm105 -151.53 106.26 3.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -98.42 116.22 30.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.823 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 24' ' ' ASN . 14.9 t -81.95 129.83 34.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.5 p -73.36 -43.32 60.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -61.13 -40.4 93.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 66.5 mtt180 -92.7 -24.03 18.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 20' ' ' SER . 12.7 m-80 56.38 51.89 10.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.2 mttm -132.18 150.04 52.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 24.0 tp -105.5 104.46 14.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.461 HG23 ' N ' ' A' ' 28' ' ' VAL . 5.4 mp -100.55 137.46 28.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.116 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.461 ' N ' HG23 ' A' ' 27' ' ' ILE . 21.9 t -137.17 116.12 14.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.165 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.5 t -96.63 129.78 46.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.5 t -108.65 83.49 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.126 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -51.63 -73.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.836 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.447 ' HB1' ' CG2' ' A' ' 74' ' ' VAL . . . -174.57 159.01 2.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.044 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 38.2 m -106.2 164.01 12.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.461 ' HD3' ' CH2' ' A' ' 130' ' ' TRP . 7.3 ptm180 -149.95 161.03 43.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 59.16 41.73 19.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.9 mt -95.02 94.03 7.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.2 pp -50.59 160.37 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -122.86 134.84 54.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -59.83 -22.58 62.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.2 t -154.54 119.79 5.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.845 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 42' ' ' ASP . 18.6 tt0 -37.64 -41.48 0.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 41' ' ' GLU . 5.1 t0 -37.02 -47.47 0.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 150.39 146.65 4.37 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.516 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.3 p -128.78 163.68 24.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.884 0.373 . . . . 0.0 110.86 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.8 81.04 6.97 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.621 0.724 . . . . 0.0 110.875 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 148.18 64.44 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.704 2.269 . . . . 0.0 112.319 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 21.8 p90 -161.96 154.48 19.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.6 t -104.33 142.5 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.116 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 29.7 ttt180 -131.04 124.84 31.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 69.8 mtm -115.89 118.47 33.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -124.63 122.94 38.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.3 tp -74.8 88.43 2.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.531 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 83.8 mt -67.78 153.56 94.93 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.611 0.72 . . . . 0.0 110.936 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.8 Cg_endo -69.72 -38.41 1.63 Allowed 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.345 -0.14 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.454 ' C ' ' O ' ' A' ' 54' ' ' PRO . 13.8 t70 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.896 0.379 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.1 pttm -145.6 164.38 31.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 10.2 p -97.95 175.24 6.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.11 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.433 ' CG ' ' N ' ' A' ' 66' ' ' VAL . 86.5 t60 -57.35 166.56 1.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.433 ' N ' ' CG ' ' A' ' 65' ' ' HIS . 23.3 t -111.32 99.64 9.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.0 m -66.24 142.48 57.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.7 mtpt -117.34 154.72 30.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.4 mptt 46.25 54.14 8.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.884 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.9 t -162.78 149.71 13.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 46.0 mt -107.96 -32.97 7.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.886 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -107.55 75.69 0.49 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.606 0.717 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 152.49 69.53 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.701 2.268 . . . . 0.0 112.313 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.447 ' CG2' ' HB1' ' A' ' 32' ' ' ALA . 2.5 p -147.54 120.13 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.141 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.45 ' O ' ' CG ' ' A' ' 76' ' ' ASP . 0.8 OUTLIER -110.85 -32.68 6.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.45 ' CG ' ' O ' ' A' ' 75' ' ' PHE . 0.7 OUTLIER 47.23 39.42 8.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -97.65 145.11 26.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 37.3 t -113.74 113.09 24.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -96.74 170.37 9.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -153.7 143.39 21.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.877 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -137.09 126.93 25.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 69.1 p -74.35 90.26 2.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.826 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.7 p -143.56 134.63 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.173 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.466 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 1.5 m -74.25 147.97 41.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.607 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 4.4 tp -52.47 -44.63 94.77 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.59 0.71 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.607 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 65.6 Cg_exo -48.02 -41.58 33.03 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.664 2.243 . . . . 0.0 112.333 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -79.16 -64.89 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.462 ' CG1' ' N ' ' A' ' 89' ' ' GLN . 1.3 p -42.12 -40.74 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.112 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.462 ' N ' ' CG1' ' A' ' 88' ' ' VAL . 65.2 mt-30 -45.26 -43.22 10.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 87.2 mtt-85 -84.84 -20.35 31.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 55.5 mtt180 -82.67 168.39 17.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.448 HG23 ' N ' ' A' ' 93' ' ' LEU . 25.9 m -135.75 145.74 46.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.178 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.448 ' N ' HG23 ' A' ' 92' ' ' THR . 5.3 tp -91.2 96.57 10.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.442 ' HB2' ' CD1' ' A' ' 53' ' ' LEU . 23.5 t70 -71.63 99.31 2.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.464 HG11 ' CD1' ' A' ' 15' ' ' LEU . 11.6 t -108.6 106.63 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.115 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -122.89 125.62 45.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.133 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 43.3 t -108.68 101.56 12.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.1 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.76 -176.75 3.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 6.6 p30 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.947 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 14.5 tp . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.836 0.35 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 54.5 mt -89.88 -52.13 5.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -163.77 147.98 13.95 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.475 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.433 ' CA ' HD23 ' A' ' 133' ' ' LEU . 14.3 ptmt -149.36 160.09 43.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.814 0.34 . . . . 0.0 110.929 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 7.2 p -154.9 127.07 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.143 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.424 HD21 ' N ' ' A' ' 115' ' ' LEU . 3.5 mm? -90.85 146.37 23.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 92.2 t -128.11 116.99 44.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.104 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.41 111.01 8.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.077 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.445 ' CD1' HG22 ' A' ' 88' ' ' VAL . 11.9 mt -83.58 19.57 1.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.938 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -83.51 19.41 1.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 42.0 m -83.23 161.91 21.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -106.0 -17.9 14.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -90.53 41.12 1.04 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.423 HD22 ' CZ3' ' A' ' 127' ' ' TRP . 13.5 mt -83.49 -49.87 8.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -42.0 -42.37 2.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.429 ' CG ' ' N ' ' A' ' 126' ' ' GLY . 37.0 pttt -71.89 -43.69 64.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . 0.457 ' CA ' ' HG3' ' A' ' 18' ' ' ARG . . . 89.99 147.25 16.81 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . 0.423 ' CZ3' HD22 ' A' ' 123' ' ' LEU . 15.3 p90 -144.92 156.69 44.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.844 0.354 . . . . 0.0 110.878 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 98.9 m -130.28 131.85 45.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -161.04 160.48 30.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.931 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' TRP . . . . . 0.461 ' CH2' ' HD3' ' A' ' 34' ' ' ARG . 73.8 m95 -93.64 109.94 21.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.944 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -80.87 101.49 9.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -61.31 115.26 3.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.433 HD23 ' CA ' ' A' ' 113' ' ' LYS . 30.1 mt -62.86 135.18 57.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' THR . . . . . 0.424 ' C ' ' CD1' ' A' ' 10' ' ' LEU . 44.7 p -124.66 171.69 9.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -70.91 165.25 23.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 22.9 p-10 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.843 179.976 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.5 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.646 0.736 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -23.28 30.82 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.674 2.249 . . . . 0.0 112.316 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 63.3 mt -101.22 -41.79 6.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.458 ' CA ' ' O ' ' A' ' 35' ' ' ASN . . . 142.73 175.93 16.35 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.457 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -130.1 172.53 11.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.785 0.326 . . . . 0.0 110.94 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.5 tt -163.48 130.33 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.131 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -99.43 122.46 42.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.951 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.428 ' CD1' HG12 ' A' ' 95' ' ' VAL . 39.5 mt -135.32 117.4 15.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.7 m -79.82 101.95 8.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 40.2 mt -96.84 111.7 27.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.132 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.0 ttm180 -143.44 125.61 15.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 38.6 t-80 -103.13 101.98 11.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.8 m -66.39 122.18 16.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 72.5 p -69.96 -46.23 65.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -63.36 -47.6 81.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.4 mtp85 -79.05 -22.53 45.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.5 m120 56.44 47.11 19.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.5 mttt -139.65 155.16 47.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 19.6 tp -101.36 104.1 15.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.7 mp -91.49 124.5 44.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.166 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 99.5 t -128.04 108.6 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.172 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.8 t -95.82 136.98 25.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.6 t -116.74 92.04 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -57.06 -72.21 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -172.27 161.09 5.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.112 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 9.0 m -113.81 154.55 27.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.1 ptt180 -142.66 174.13 10.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.458 ' O ' ' CA ' ' A' ' 11' ' ' GLY . 91.4 m-20 52.1 49.13 21.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.929 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.3 mt -108.87 89.24 2.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.7 pp -46.74 154.02 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.43 ' HB1' ' CD2' ' A' ' 71' ' ' LEU . . . -109.88 137.97 46.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.075 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -62.29 -21.95 65.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 41' ' ' GLU . 4.0 t -158.02 122.77 4.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 42' ' ' ASP . 10.5 tp10 -35.74 -43.46 0.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 41' ' ' GLU . 38.5 m-20 -35.33 -48.79 0.48 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 148.04 137.08 2.84 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.497 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.8 p -115.48 155.89 26.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 0.0 110.819 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.14 81.12 3.59 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.613 0.721 . . . . 0.0 110.824 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 137.01 34.58 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.688 2.258 . . . . 0.0 112.385 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 12.1 p90 -146.75 135.49 22.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.949 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 93.6 t -88.07 141.19 14.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.127 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.434 ' HD3' ' CE1' ' A' ' 51' ' ' TYR . 9.9 ttm180 -131.41 130.2 42.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.566 ' O ' ' CD1' ' A' ' 51' ' ' TYR . 63.9 mtm -113.53 151.48 31.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.566 ' CD1' ' O ' ' A' ' 50' ' ' MET . 12.3 m-85 -158.04 126.02 5.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.906 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 23.2 tp -85.37 80.7 9.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.959 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.516 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 1.5 mm? -61.76 154.49 66.52 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.587 0.708 . . . . 0.0 110.914 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.1 Cg_endo -69.82 -51.18 0.16 OUTLIER 'Cis proline' 0 C--O 1.231 0.148 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.323 -0.075 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.7 t0 . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.864 179.895 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.547 ' HB3' ' CD2' ' A' ' 79' ' ' PHE . 25.2 mmt85 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.894 0.378 . . . . 0.0 110.841 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -117.96 168.15 10.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 51.7 p -100.36 161.02 13.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 29.7 m80 -52.43 154.51 2.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.9 t -99.11 110.13 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.105 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 35.6 m -85.76 142.71 28.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -120.93 159.45 25.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.6 mptt 57.28 44.59 21.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.6 t -168.07 137.63 2.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.117 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.43 ' CD2' ' HB1' ' A' ' 38' ' ' ALA . 77.4 mt -92.34 -24.59 18.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -114.64 85.67 11.66 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.65 0.738 . . . . 0.0 110.93 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.433 ' HB2' ' CZ ' ' A' ' 75' ' ' PHE . 53.7 Cg_endo -69.77 155.11 66.76 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.694 2.263 . . . . 0.0 112.375 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 90.4 t -138.09 118.91 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.179 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.433 ' CZ ' ' HB2' ' A' ' 73' ' ' PRO . 1.4 m-85 -117.06 -53.26 2.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.2 t70 60.11 33.35 21.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -94.05 160.75 14.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 41.7 t -130.64 121.79 26.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.547 ' CD2' ' HB3' ' A' ' 62' ' ' ARG . 23.3 m-85 -105.92 170.04 8.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.903 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -147.94 155.16 41.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -148.21 129.94 15.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 55.1 p -76.79 91.04 3.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.7 p -143.48 135.16 23.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.103 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.487 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 1.0 OUTLIER -75.22 149.26 38.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.832 -179.81 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.606 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 0.3 OUTLIER -52.81 -44.58 96.38 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.604 0.716 . . . . 0.0 110.904 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 65.0 Cg_exo -47.92 -41.63 32.31 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.654 2.236 . . . . 0.0 112.362 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 89' ' ' GLN . 1.0 OUTLIER -80.92 -60.15 2.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.444 HG12 ' N ' ' A' ' 89' ' ' GLN . 0.7 OUTLIER -38.16 -26.67 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.104 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 87' ' ' GLU . 73.0 mt-30 -62.58 -54.55 37.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -75.32 -18.14 60.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 76.8 mtt-85 -79.03 171.15 15.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.9 m -141.52 144.59 34.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.148 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.9 tp -95.46 95.86 8.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.62 99.97 1.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.905 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.428 HG12 ' CD1' ' A' ' 15' ' ' LEU . 39.3 t -108.85 101.23 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -119.61 124.53 46.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.084 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 70.5 t -108.07 102.2 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.127 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.19 176.46 8.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.2 p30 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 179.932 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.8 tp . . . . . 0 C--O 1.233 0.201 0 CA-C-O 120.79 0.329 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 96.2 mt -94.18 -42.52 8.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -175.64 132.18 2.08 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.443 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -134.45 154.89 51.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.815 0.34 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 11.8 p -154.3 123.82 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.177 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -90.77 144.59 25.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 86.1 t -128.55 115.61 38.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.142 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.76 111.8 9.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 12.0 mt -84.52 26.82 0.76 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -90.99 19.45 5.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.117 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.1 m -90.03 154.2 19.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -96.96 24.56 6.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.903 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -104.91 -11.44 16.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 19.5 mt -54.27 -36.18 63.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -42.96 -29.54 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -111.69 -56.74 2.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 114.48 152.46 10.49 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 28.6 p90 -145.83 156.59 43.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.832 0.349 . . . . 0.0 110.923 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 97.3 m -129.05 132.69 47.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.116 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -164.79 157.82 16.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' TRP . . . . . . . . . . . . . 49.3 m95 -89.18 100.8 13.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -70.86 102.72 2.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.948 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -58.97 115.38 3.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 75.0 mt -64.51 143.77 57.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 79.3 p -125.82 174.38 8.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -78.63 169.75 17.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.3 p30 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 179.995 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.9 p . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.671 0.748 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.86 -27.57 25.85 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.68 2.253 . . . . 0.0 112.346 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 71.4 mt -81.65 -48.0 12.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.931 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 143.02 -178.81 21.04 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.457 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -138.16 175.08 9.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.782 0.325 . . . . 0.0 110.937 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.9 tt -155.9 131.57 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.129 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.453 ' NE2' ' NE1' ' A' ' 130' ' ' TRP . 31.5 tt0 -98.86 119.29 37.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.2 mt -136.61 138.61 41.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 97.0 m -104.6 105.72 15.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 28.1 mt -97.71 125.41 50.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.079 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 38.0 ttt180 -155.65 110.55 2.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.457 ' NE2' ' N ' ' A' ' 85' ' ' LEU . 8.4 t-80 -98.04 113.37 25.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.814 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.6 t -79.51 131.67 36.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.9 p -76.34 -30.74 57.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.835 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -73.56 -48.0 36.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.443 ' O ' ' CG ' ' A' ' 24' ' ' ASN . 13.6 mmm-85 -87.86 -12.59 44.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.443 ' CG ' ' O ' ' A' ' 23' ' ' ARG . 5.6 p-10 46.56 50.48 12.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.5 mttm -133.77 150.57 51.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 19.4 tp -105.54 107.09 17.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.3 mp -95.77 125.92 48.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.161 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 42.3 t -128.58 106.93 15.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.169 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 49.1 t -92.8 138.01 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.097 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 82.4 t -114.68 79.72 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.119 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -44.75 -72.52 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -172.13 163.37 5.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.081 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 63.3 m -115.4 144.22 44.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.826 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.5 ptt180 -136.38 163.81 29.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 61.46 45.03 8.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 76.9 mt -101.34 94.95 6.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.942 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.7 pp -53.94 136.25 15.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.458 ' HB2' ' CD2' ' A' ' 71' ' ' LEU . . . -98.98 132.27 44.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -52.61 -34.78 52.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.4 t -134.4 120.78 20.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.853 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 42' ' ' ASP . 44.2 mt-10 -37.45 -48.85 0.99 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 41' ' ' GLU . 1.3 m-20 -36.25 -46.0 0.49 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 157.58 164.23 13.57 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.471 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 59.0 p -146.0 159.36 43.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.863 0.363 . . . . 0.0 110.838 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.46 ' HB2' ' CG1' ' A' ' 66' ' ' VAL . 17.7 p30 -113.14 82.63 5.66 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.626 0.727 . . . . 0.0 110.867 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 149.53 66.72 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.707 2.272 . . . . 0.0 112.344 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.2 p90 -161.1 143.15 12.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 65.8 t -102.01 147.68 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.123 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -133.8 136.0 44.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.862 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.56 ' HE1' ' CD1' ' A' ' 79' ' ' PHE . 50.7 mtm -114.42 143.86 44.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -151.04 114.18 4.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.415 ' O ' ' O ' ' A' ' 55' ' ' ASP . 15.1 tp -70.35 79.54 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.522 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 79.0 mt -57.89 155.54 22.82 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.584 0.707 . . . . 0.0 110.906 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.7 Cg_endo -69.77 -51.62 0.16 OUTLIER 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.65 -1.813 . . . . 0.0 112.38 -0.152 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.415 ' O ' ' O ' ' A' ' 52' ' ' LEU . 5.1 m-20 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.903 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.559 ' HB3' ' CD2' ' A' ' 79' ' ' PHE . 15.1 mmt85 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.884 0.373 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.04 164.08 14.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 77.8 p -103.79 166.44 10.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.148 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 60.5 t60 -51.95 158.14 1.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.46 ' CG1' ' HB2' ' A' ' 45' ' ' ASP . 70.8 t -106.51 102.28 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.1 m -68.35 142.74 55.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.9 mmtt -119.32 144.84 46.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm 57.99 46.33 16.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 13.8 t -161.65 153.39 19.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.458 ' CD2' ' HB2' ' A' ' 38' ' ' ALA . 94.0 mt -104.95 -27.8 11.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.539 ' ND2' ' C ' ' A' ' 72' ' ' ASN . 0.5 OUTLIER -113.81 89.35 15.93 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.636 0.732 . . . . 0.0 110.908 179.909 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.422 ' HB2' ' CZ ' ' A' ' 75' ' ' PHE . 53.4 Cg_endo -69.75 149.93 67.6 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.706 2.27 . . . . 0.0 112.335 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 46.2 t -131.33 113.19 22.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.186 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.422 ' CZ ' ' HB2' ' A' ' 73' ' ' PRO . 11.3 m-85 -110.98 -56.53 2.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.5 t70 63.72 36.76 10.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -100.76 160.33 14.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.4 t -130.74 117.19 19.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.56 ' CD1' ' HE1' ' A' ' 50' ' ' MET . 32.4 m-85 -100.06 161.19 13.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -141.32 153.31 45.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -146.47 132.73 19.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 63.8 p -77.27 91.43 3.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.88 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.5 p -143.51 132.48 19.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.126 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.477 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 1.1 m -74.7 147.72 41.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.605 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 0.3 OUTLIER -52.97 -44.37 96.7 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.655 0.741 . . . . 0.0 110.967 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 65.5 Cg_exo -48.06 -37.58 30.48 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.656 2.237 . . . . 0.0 112.355 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 89' ' ' GLN . 5.2 mm-40 -85.62 -59.64 2.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.915 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.463 ' CG2' HD11 ' A' ' 118' ' ' LEU . 0.9 OUTLIER -38.26 -26.46 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 87' ' ' GLU . 70.6 mt-30 -61.51 -48.39 81.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 76.0 mtt180 -78.83 -22.38 46.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 67.2 mtt-85 -78.32 171.66 14.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.6 m -145.59 136.95 25.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.195 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.0 tp -82.9 100.25 10.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -76.06 100.44 4.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 11.7 t -108.79 108.96 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -127.9 126.47 41.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.103 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 90.7 t -104.06 104.51 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.14 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 35.7 mttt -122.22 176.04 6.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 25.9 p30 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 179.931 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.8 tp . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.861 0.362 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 76.9 mt -85.37 -34.48 21.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 175.79 150.92 8.32 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.442 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.7 ptmm? -156.71 150.23 24.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.348 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 14.8 p -154.67 125.41 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.165 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.488 ' CD2' ' N ' ' A' ' 115' ' ' LEU . 1.1 mm? -88.53 155.6 19.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.953 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 75.6 t -134.13 108.65 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.57 109.96 3.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.463 HD11 ' CG2' ' A' ' 88' ' ' VAL . 6.7 mt -85.39 26.27 0.93 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -87.55 27.89 1.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.081 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 56.5 m -93.17 160.42 14.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -101.47 -17.02 16.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -91.76 41.65 1.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 11.6 mt -83.15 -51.82 7.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -40.61 -41.51 1.5 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 32.9 mtpt -72.07 -45.49 60.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 91.64 153.13 29.33 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.472 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 15.2 p90 -147.87 159.73 43.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.885 0.374 . . . . 0.0 110.895 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 88.5 m -133.87 130.01 37.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.152 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -165.17 163.56 20.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' TRP . . . . . 0.453 ' NE1' ' NE2' ' A' ' 14' ' ' GLN . 85.1 m95 -93.8 124.24 37.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.947 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -95.25 101.2 12.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.96 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.411 ' O ' ' CG ' ' A' ' 132' ' ' ASP . 0.7 OUTLIER -56.91 115.28 2.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 55.5 mt -63.62 143.24 57.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 76.6 p -131.48 158.55 40.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -71.31 154.42 41.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 12.0 t70 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 179.985 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.3 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.644 0.735 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -29.12 24.66 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.682 2.254 . . . . 0.0 112.377 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.8 mt -76.36 -52.7 9.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 148.59 -174.96 28.09 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.512 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -136.19 175.01 9.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.783 0.325 . . . . 0.0 110.919 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 15.1 tt -161.54 134.93 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.173 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.516 ' HB2' ' CZ2' ' A' ' 130' ' ' TRP . 23.4 tt0 -99.46 119.79 38.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.0 mt -137.03 138.75 40.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.951 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 90.4 m -103.93 109.1 20.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.463 HG22 ' CD2' ' A' ' 123' ' ' LEU . 78.9 mt -100.76 118.2 47.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.125 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 38.1 ttp180 -147.82 115.82 6.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.2 t-80 -97.97 107.01 19.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.802 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.4 m -74.6 120.94 20.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.844 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 25.0 p -68.12 -54.69 16.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.858 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -51.56 -44.09 62.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.7 mmm180 -83.26 -20.23 34.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.7 m120 55.07 45.9 25.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.0 mttm -137.49 158.48 44.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 39.0 tp -106.32 108.53 20.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.5 mp -96.98 133.07 39.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 92.2 t -139.82 109.8 3.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.3 t -91.41 142.55 12.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.149 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.7 t -121.72 94.57 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.161 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -61.13 -73.54 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -171.81 163.56 6.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 63.1 m -112.88 147.2 37.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -139.43 165.07 28.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 62.22 39.25 12.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 48.2 mt -96.0 106.88 19.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.415 ' C ' HD11 ' A' ' 37' ' ' ILE . 2.5 pp -61.6 139.65 20.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -99.01 113.6 25.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.127 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -41.17 -36.35 0.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 41' ' ' GLU . 34.9 t -135.22 116.9 14.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 40' ' ' SER . 12.8 mt-10 -35.55 -45.58 0.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -38.9 -48.54 1.58 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 153.76 139.86 2.94 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.522 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 79.0 p -120.75 159.77 24.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.868 0.366 . . . . 0.0 110.858 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.23 81.72 1.38 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.604 0.716 . . . . 0.0 110.862 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 138.59 38.27 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.709 2.272 . . . . 0.0 112.329 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.414 ' CD1' ' O ' ' A' ' 98' ' ' LYS . 3.6 p90 -156.05 136.32 13.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.899 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 78.9 t -88.77 149.71 3.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.132 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.0 ttt180 -137.01 134.76 36.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.47 ' HE1' ' CD1' ' A' ' 79' ' ' PHE . 66.2 mtm -119.43 137.96 53.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.863 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -148.5 113.65 5.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.406 HD22 ' NH1' ' A' ' 91' ' ' ARG . 22.1 tp -71.49 88.76 0.92 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.958 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.528 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 88.2 mt -62.64 152.06 82.35 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.611 0.719 . . . . 0.0 110.903 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.6 Cg_endo -69.75 -41.54 0.89 Allowed 'Cis proline' 0 C--N 1.341 0.161 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.336 -0.135 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 179.914 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.503 ' HG3' ' CD2' ' A' ' 79' ' ' PHE . 8.2 tpp180 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.836 0.35 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.6 pttp -148.97 168.11 23.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 38.4 p -96.91 158.38 15.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -56.15 158.37 4.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.1 p -105.47 119.32 54.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.122 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.5 t -90.67 151.3 21.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.827 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -117.54 159.35 23.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? 48.48 50.81 16.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.4 t -165.98 117.89 1.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.127 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 69.4 mt -74.51 -38.03 62.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -106.43 87.19 2.51 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.598 0.713 . . . . 0.0 110.903 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 156.31 63.75 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.687 2.258 . . . . 0.0 112.308 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 89.0 t -136.49 125.78 37.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.138 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -120.5 -53.48 2.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 59.7 39.96 20.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -113.87 156.3 24.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.965 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 40.1 t -126.75 137.93 53.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.503 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 7.1 m-85 -115.16 167.24 11.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.842 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -145.16 149.13 34.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.844 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -143.11 129.88 20.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 54.9 p -73.04 91.61 1.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.5 p -143.49 132.93 20.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.121 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.48 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 1.0 OUTLIER -76.4 148.3 37.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 -179.843 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.607 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 0.3 OUTLIER -52.15 -44.68 93.23 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.602 0.715 . . . . 0.0 110.91 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.607 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 65.5 Cg_exo -47.98 -42.07 32.25 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.723 2.282 . . . . 0.0 112.303 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 89' ' ' GLN . 0.7 OUTLIER -82.41 -62.26 1.67 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -38.48 -26.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 87' ' ' GLU . 60.6 mt-30 -58.21 -56.26 24.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.2 ptt180 -76.75 -4.2 42.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.406 ' NH1' HD22 ' A' ' 52' ' ' LEU . 32.0 mtt180 -91.77 169.38 10.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 76.7 m -142.01 142.49 32.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.119 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.4 tp -86.09 101.88 13.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -70.9 100.82 2.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 29.7 t -111.75 100.0 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -120.74 116.53 25.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 45.4 t -103.23 106.68 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.414 ' O ' ' CD1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -144.08 -179.5 6.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.975 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.439 ' CD2' ' HB2' ' A' ' 136' ' ' ASP . 18.6 tp . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.849 0.357 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.405 ' CD2' HD13 ' A' ' 37' ' ' ILE . 22.1 mt -85.7 -33.46 21.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 176.08 136.57 2.38 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.516 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.21 152.53 49.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.816 0.341 . . . . 0.0 110.944 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 11.8 p -152.29 125.37 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.106 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.415 ' N ' ' CD2' ' A' ' 115' ' ' LEU . 1.3 mm? -94.35 152.23 18.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 86.1 t -131.83 117.43 34.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -74.5 110.28 8.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.103 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 8.5 mt -86.34 28.76 0.81 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.922 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -93.48 27.78 2.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.077 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.5 t -97.62 -176.73 3.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -118.34 -11.56 10.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.54 ' HG3' ' CZ3' ' A' ' 127' ' ' TRP . 10.5 pt-20 -85.87 26.56 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.463 ' CD2' HG22 ' A' ' 17' ' ' ILE . 15.5 mt -84.47 -53.23 5.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 123' ' ' LEU . . . -36.55 -41.69 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.085 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.1 -48.27 10.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 101.5 153.23 25.76 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.53 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . 0.54 ' CZ3' ' HG3' ' A' ' 122' ' ' GLU . 19.1 p90 -145.47 165.42 28.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.861 0.363 . . . . 0.0 110.933 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 62.0 m -135.33 128.53 31.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -160.51 155.32 24.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' TRP . . . . . 0.516 ' CZ2' ' HB2' ' A' ' 14' ' ' GLN . 72.6 m95 -87.16 110.24 20.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -82.62 105.65 13.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -62.93 118.22 7.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 62.4 mt -61.6 143.05 56.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 74.9 p -132.36 144.04 50.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.134 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.06 166.55 13.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . 0.439 ' HB2' ' CD2' ' A' ' 110' ' ' LEU . 33.1 t0 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 121.701 0.762 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -22.22 32.41 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.694 2.262 . . . . 0.0 112.277 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.2 mt -85.86 -48.63 8.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.96 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 153.35 -166.92 31.8 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.553 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -147.62 174.31 11.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.767 0.318 . . . . 0.0 110.941 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.4 tt -163.95 132.77 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.484 ' HB2' ' CE2' ' A' ' 130' ' ' TRP . 31.5 tt0 -99.55 115.37 29.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.417 ' CD1' HG13 ' A' ' 95' ' ' VAL . 3.1 mt -133.88 135.57 43.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 88.6 m -98.31 110.77 23.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.2 mt -101.53 123.06 54.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.32 137.86 15.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.845 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.411 ' CE1' ' HA ' ' A' ' 24' ' ' ASN . 5.3 t-80 -125.77 114.19 18.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 24' ' ' ASN . 9.1 t -77.9 126.25 30.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 93.6 p -67.35 -39.7 85.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.843 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 -68.96 -47.43 65.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.449 ' O ' ' CG ' ' A' ' 24' ' ' ASN . 5.4 mmt180 -83.39 -16.25 46.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.48 ' N ' ' O ' ' A' ' 20' ' ' SER . 3.3 p30 46.25 52.91 10.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.937 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.2 mttt -135.48 148.55 49.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.8 tp -102.67 111.05 23.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.925 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.449 HG22 ' N ' ' A' ' 28' ' ' VAL . 3.9 mp -99.45 136.11 31.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.449 ' N ' HG22 ' A' ' 27' ' ' ILE . 45.9 t -140.16 112.05 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.149 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.438 HG11 ' N ' ' A' ' 30' ' ' VAL . 10.9 t -95.69 150.79 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.129 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.438 ' N ' HG11 ' A' ' 29' ' ' VAL . 3.3 t -132.63 83.86 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -51.13 -74.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -173.33 158.39 3.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.103 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 58.6 m -105.74 166.15 10.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 33.9 ptt180 -152.95 164.61 37.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 51.66 54.13 11.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 82.8 mt -107.56 98.83 8.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.5 pp -55.83 143.65 8.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -108.22 139.0 43.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -53.25 -25.85 15.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 41' ' ' GLU . 43.6 t -148.18 119.84 8.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 42' ' ' ASP . 48.8 tp10 -35.36 -46.24 0.36 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.901 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 41' ' ' GLU . 65.2 m-20 -34.46 -47.23 0.3 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 145.68 155.79 6.62 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.483 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.3 m -140.25 172.02 13.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.882 0.372 . . . . 0.0 110.858 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.97 83.26 14.45 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.611 0.719 . . . . 0.0 110.864 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 141.48 45.14 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.667 2.245 . . . . 0.0 112.331 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.5 p90 -152.11 140.26 20.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.461 HG12 ' N ' ' A' ' 49' ' ' ARG . 72.2 t -90.1 150.56 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.151 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.461 ' N ' HG12 ' A' ' 48' ' ' VAL . 15.2 ttm180 -132.36 148.05 52.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 58.2 mtm -137.37 120.93 17.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -136.66 111.98 9.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 49.0 tp -67.44 93.9 0.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.525 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 48.3 mt -70.22 154.31 94.63 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.605 0.716 . . . . 0.0 110.94 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.9 Cg_endo -69.74 -45.23 0.43 Allowed 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.752 -1.77 . . . . 0.0 112.335 -0.088 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 51.6 t0 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.922 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.5 tpp180 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.882 0.373 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -141.28 170.93 14.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 45.1 p -98.28 168.03 10.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -54.13 163.06 0.86 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 91.7 t -105.66 102.74 14.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.2 m -71.49 141.6 50.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 52.9 mttt -121.52 159.87 25.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp 51.01 52.11 15.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.6 t -173.32 141.47 0.92 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.16 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 26.3 mt -97.79 -13.17 21.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -124.76 83.04 59.51 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.631 0.729 . . . . 0.0 110.868 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 147.67 63.11 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.627 2.218 . . . . 0.0 112.35 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 45.9 t -132.47 114.6 23.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -107.87 -46.64 3.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.6 t70 55.65 29.94 14.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -103.71 151.75 22.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 38.6 t -124.07 138.96 54.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.439 ' CD1' ' N ' ' A' ' 79' ' ' PHE . 3.6 m-85 -117.2 171.53 7.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -149.9 149.05 29.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -140.54 124.69 17.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 70.9 p -71.82 92.33 1.22 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.856 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.4 p -143.38 134.53 22.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.17 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.483 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 1.0 OUTLIER -74.13 148.68 41.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 -179.838 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.616 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 3.0 tp -53.77 -44.11 97.43 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.616 0.722 . . . . 0.0 110.912 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 65.4 Cg_exo -48.07 -35.19 25.23 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.66 2.24 . . . . 0.0 112.366 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -88.92 -58.04 2.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 1.3 p -45.99 -30.43 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.402 ' CD ' ' HG ' ' A' ' 85' ' ' LEU . 73.0 mt-30 -59.32 -60.68 3.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 -69.72 -3.35 14.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 88.6 mtt-85 -97.11 -179.23 4.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 77.7 m -150.34 136.61 18.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.13 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.4 tp -84.47 104.96 14.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.404 ' HB2' ' CD1' ' A' ' 53' ' ' LEU . 12.3 t0 -75.34 97.02 3.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.417 HG13 ' CD1' ' A' ' 15' ' ' LEU . 17.3 t -106.67 102.73 14.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.137 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -128.71 133.24 48.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.096 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 78.9 t -104.75 101.55 12.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.116 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -106.45 -177.37 3.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.1 t30 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.923 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.1 tp . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.855 0.359 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 14.8 mt -108.16 -45.53 3.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -166.38 144.57 9.24 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.504 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.434 ' CA ' HD21 ' A' ' 133' ' ' LEU . 4.9 ptmm? -150.6 154.67 37.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.785 0.326 . . . . 0.0 110.931 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 11.3 p -157.06 124.61 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.122 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.492 ' CD2' ' N ' ' A' ' 115' ' ' LEU . 1.5 mm? -91.63 156.94 17.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 81.3 t -139.14 123.78 20.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -78.0 110.96 13.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.9 mt -84.23 20.09 1.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -87.44 23.44 1.9 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.088 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.2 m -97.51 147.76 23.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -85.96 -14.24 45.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -70.17 -5.77 29.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 11.5 mt -55.76 -36.73 67.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.945 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -47.68 -38.25 14.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.101 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -94.35 -59.86 1.86 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 113.32 148.14 10.08 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 26.8 p90 -136.85 157.29 47.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.814 0.34 . . . . 0.0 110.937 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 85.6 m -132.65 126.97 33.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.123 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.411 ' CG ' ' CE1' ' A' ' 131' ' ' TYR . 16.8 pt20 -158.92 158.92 34.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' TRP . . . . . 0.484 ' CE2' ' HB2' ' A' ' 14' ' ' GLN . 72.1 m95 -86.85 99.57 11.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . 0.411 ' CE1' ' CG ' ' A' ' 129' ' ' GLN . 21.1 m-85 -67.45 102.11 1.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.46 ' N ' ' OD1' ' A' ' 132' ' ' ASP . 0.2 OUTLIER -63.18 114.01 3.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 179.905 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.434 HD21 ' CA ' ' A' ' 113' ' ' LYS . 77.2 mt -61.89 143.08 56.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 77.1 p -127.05 173.28 9.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -79.02 161.78 26.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 10.4 p30 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.934 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.8 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 121.661 0.743 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -26.88 26.98 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.652 2.235 . . . . 0.0 112.353 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 89.6 mt -80.09 -51.88 8.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 152.3 -173.92 31.33 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.485 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -141.92 178.58 7.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.811 0.339 . . . . 0.0 110.895 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.6 tt -166.77 134.25 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.556 ' HB2' ' CZ2' ' A' ' 130' ' ' TRP . 22.2 tt0 -99.47 114.69 27.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.453 ' CD1' HG11 ' A' ' 95' ' ' VAL . 40.5 mt -131.16 127.84 38.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.0 m -97.12 102.86 14.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 80.5 mt -96.55 125.11 49.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.13 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -155.66 116.05 3.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 -97.62 106.29 18.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 24' ' ' ASN . 2.3 m -69.06 125.58 27.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 71.7 p -66.85 -55.05 16.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -55.47 -43.81 75.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.459 ' O ' ' CG ' ' A' ' 24' ' ' ASN . 32.8 mmt180 -84.96 -17.72 36.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 20' ' ' SER . 5.3 p-10 46.67 43.89 13.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.8 mttt -126.33 156.73 39.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 19.6 tp -101.34 102.67 13.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.921 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.8 mp -92.53 130.09 42.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 40.6 t -136.73 106.15 4.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.9 t -94.04 138.16 21.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 19.2 t -117.26 96.61 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -63.08 -74.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.461 ' HB1' ' CB ' ' A' ' 74' ' ' VAL . . . -172.03 162.16 5.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.083 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 32.7 m -106.4 167.96 9.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 23.6 ptt180 -155.59 148.0 23.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 60.73 53.39 3.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.464 ' O ' ' C ' ' A' ' 37' ' ' ILE . 55.5 mt -99.41 88.02 3.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.464 ' C ' ' O ' ' A' ' 36' ' ' LEU . 2.7 pp -32.67 141.86 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 39' ' ' PHE . . . -114.78 113.64 24.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.08 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' A' ' 38' ' ' ALA . 3.4 t80 -38.27 -36.02 0.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 41.1 t -139.21 122.16 16.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -42.4 -28.73 0.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -52.86 -43.12 65.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 146.34 131.09 2.2 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.534 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.1 m -110.14 175.12 5.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.902 0.382 . . . . 0.0 110.849 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -114.4 78.33 4.69 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.572 0.701 . . . . 0.0 110.885 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 134.16 27.37 Favored 'Trans proline' 0 C--O 1.23 0.123 0 C-N-CA 122.679 2.253 . . . . 0.0 112.367 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.412 ' CB ' ' HB ' ' A' ' 66' ' ' VAL . 2.2 p90 -160.89 136.36 7.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 29.9 t -87.96 159.56 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.161 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.4 ttm180 -145.16 130.11 18.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 64.2 mtm -113.89 142.48 46.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -151.18 127.61 10.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.2 tp -84.02 89.11 7.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.518 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 4.1 mm? -66.92 156.05 88.42 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.602 0.715 . . . . 0.0 110.947 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.5 Cg_endo -69.8 -47.56 0.31 Allowed 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.674 -1.802 . . . . 0.0 112.322 -0.099 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 54' ' ' PRO . 6.7 m-20 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.83 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.875 0.369 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.1 pttp -126.94 171.26 11.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 67.1 p -97.33 163.98 12.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.413 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 80.9 m-70 -62.08 158.35 16.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.412 ' HB ' ' CB ' ' A' ' 47' ' ' TYR . 2.3 p -111.28 116.4 52.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.075 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.1 m -98.43 115.46 28.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -85.77 157.33 20.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 42.7 mmtt 61.24 54.89 3.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.0 t -175.07 144.15 0.73 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.481 HD11 ' N ' ' A' ' 71' ' ' LEU . 7.2 mp -104.55 -23.07 13.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.931 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -118.13 67.65 6.6 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.647 0.737 . . . . 0.0 110.936 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 164.99 32.47 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.663 2.242 . . . . 0.0 112.34 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.461 ' CB ' ' HB1' ' A' ' 32' ' ' ALA . 4.8 p -149.25 136.12 12.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.436 ' N ' HG23 ' A' ' 74' ' ' VAL . 1.9 m-85 -123.58 -34.37 3.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.4 t70 50.39 38.17 17.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -105.6 148.91 26.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 27.5 t -124.53 133.69 53.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.443 ' CD1' ' N ' ' A' ' 79' ' ' PHE . 3.6 m-85 -115.85 169.34 9.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -153.57 148.01 26.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -139.31 131.68 28.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 51.5 p -73.44 92.37 1.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 6.7 p -143.44 135.02 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.123 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.481 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 0.9 OUTLIER -75.36 149.66 38.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 -179.804 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.605 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 4.6 tp -52.81 -44.72 96.74 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.631 0.729 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 64.1 Cg_exo -47.96 -41.0 33.31 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.705 2.27 . . . . 0.0 112.323 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -82.37 -57.82 3.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.421 ' CG2' HD12 ' A' ' 118' ' ' LEU . 0.9 OUTLIER -48.86 -30.15 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.117 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -55.98 -55.62 30.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 18.0 ptt180 -72.59 -22.81 60.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 49.0 mtt180 -74.9 173.31 10.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.409 HG22 ' N ' ' A' ' 93' ' ' LEU . 25.2 m -143.14 142.08 31.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.409 ' N ' HG22 ' A' ' 92' ' ' THR . 3.0 tp -87.65 101.31 13.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.923 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.458 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -75.62 97.6 3.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.824 179.879 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.453 HG11 ' CD1' ' A' ' 15' ' ' LEU . 16.4 t -107.65 100.95 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -121.96 131.79 54.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.079 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 86.3 t -113.96 101.52 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 8.0 pttp -130.67 -177.81 4.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 179.966 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 11.1 tp . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.823 0.344 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 24.7 mt -83.57 -56.06 3.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -160.5 154.28 25.28 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.473 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -155.95 159.38 39.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.834 0.35 . . . . 0.0 110.839 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 11.1 p -150.66 137.85 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -101.2 148.19 25.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 53.3 t -133.09 123.28 47.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -80.91 111.36 17.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.421 HD12 ' CG2' ' A' ' 88' ' ' VAL . 25.1 mt -84.73 20.05 1.88 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -89.64 22.96 2.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.084 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 30.5 t -101.48 147.79 25.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -80.6 -31.75 36.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.865 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -46.07 -22.61 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 18.0 mt -45.08 -45.6 11.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -40.66 -34.95 0.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -103.03 -46.82 4.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 102.43 157.77 25.88 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.48 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 29.0 p90 -146.02 154.66 42.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.846 0.355 . . . . 0.0 110.932 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 87.6 m -125.22 128.51 48.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.127 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -161.95 155.9 21.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' TRP . . . . . 0.556 ' CZ2' ' HB2' ' A' ' 14' ' ' GLN . 86.8 m95 -88.88 107.09 18.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.952 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -76.96 105.11 7.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.909 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.421 ' O ' ' CG ' ' A' ' 132' ' ' ASP . 0.8 OUTLIER -62.99 116.26 5.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.872 179.888 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 87.9 mt -65.39 124.55 22.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 73.3 p -115.74 165.0 13.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -70.59 155.57 40.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 3.9 t70 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.972 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 79.1 p . . . . . 0 C--O 1.232 0.141 0 CA-C-O 121.664 0.745 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -25.41 28.47 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.698 2.265 . . . . 0.0 112.34 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 89.9 mt -92.71 -42.88 9.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 155.11 -179.54 31.05 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.473 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -140.48 158.62 43.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.759 0.314 . . . . 0.0 110.93 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.0 tt -150.59 138.62 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.077 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.481 ' HB2' ' CE2' ' A' ' 130' ' ' TRP . 38.3 tt0 -107.96 112.05 24.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.914 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.9 mt -127.79 136.1 51.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.977 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 90.6 m -102.4 109.48 21.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.17 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.9 mt -98.75 126.51 51.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -155.13 112.63 3.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.501 ' CE1' ' HB2' ' A' ' 85' ' ' LEU . 27.1 t-80 -103.39 102.42 12.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.0 t -70.05 143.36 52.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.829 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 76.6 p -85.84 -45.58 11.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.846 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.0 pm0 -60.06 -21.26 61.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -112.01 -26.16 9.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.2 m120 59.0 42.9 18.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.5 mttt -123.57 164.36 19.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.8 tp -115.84 102.11 9.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.949 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.444 ' N ' HD13 ' A' ' 27' ' ' ILE . 4.3 mp -91.23 131.94 37.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.4 t -136.51 106.12 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.427 HG12 ' N ' ' A' ' 30' ' ' VAL . 42.2 t -90.29 140.24 16.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.427 ' N ' HG12 ' A' ' 29' ' ' VAL . 35.8 t -119.57 92.8 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.17 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -58.27 -74.94 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -175.03 157.92 2.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.063 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 57.6 m -107.47 169.14 8.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 23.5 ptt180 -162.39 174.67 12.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 48.64 50.32 17.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 74.0 mt -100.47 86.94 3.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.8 pp -40.55 135.12 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.02 142.88 27.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.106 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -51.81 -41.73 61.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.8 t -128.91 21.66 5.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 46.47 29.87 0.97 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -113.54 -37.43 4.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 153.51 108.27 0.34 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.491 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.8 m -111.4 172.67 6.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.868 0.366 . . . . 0.0 110.851 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.19 76.89 0.65 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.605 0.717 . . . . 0.0 110.86 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 136.85 34.13 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.669 2.246 . . . . 0.0 112.361 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -156.81 145.98 20.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 94.6 t -92.27 149.83 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.09 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.58 133.07 34.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.834 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.501 ' HE2' ' CD1' ' A' ' 79' ' ' PHE . 75.9 mtm -121.02 144.62 48.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -155.16 122.47 5.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.453 ' HG ' ' CZ ' ' A' ' 91' ' ' ARG . 8.4 tp -75.67 85.74 2.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.875 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.529 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 51.4 mt -64.92 150.99 94.19 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.63 0.729 . . . . 0.0 110.907 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 54.1 Cg_endo -69.74 -36.77 2.21 Favored 'Cis proline' 0 C--O 1.231 0.151 0 C-N-CA 122.727 -1.781 . . . . 0.0 112.393 -0.132 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 54' ' ' PRO . 10.6 t70 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.475 ' HG3' ' CE2' ' A' ' 81' ' ' PHE . 18.3 mmm180 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.875 0.369 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.4 pttt -141.39 169.32 17.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 22.2 p -99.18 154.88 17.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.149 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 21.4 p-80 -54.24 152.89 5.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.828 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.0 p -102.62 122.35 54.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.095 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.0 m -90.06 152.79 20.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 17.2 mtpt -117.34 144.96 44.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.1 mptt 61.91 50.29 4.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.4 t -162.79 137.31 6.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.174 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.448 HD11 ' N ' ' A' ' 71' ' ' LEU . 1.6 mp -93.96 -29.55 15.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.953 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -112.98 79.16 3.3 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.609 0.718 . . . . 0.0 110.907 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 144.38 53.77 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.658 2.238 . . . . 0.0 112.376 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.445 HG11 ' N ' ' A' ' 75' ' ' PHE . 91.8 t -117.46 139.73 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.147 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.445 ' N ' HG11 ' A' ' 74' ' ' VAL . 3.0 m-85 -133.02 -52.2 0.9 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.6 t70 54.68 32.33 17.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -103.03 151.2 22.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 31.3 t -121.74 134.01 54.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.501 ' CD1' ' HE2' ' A' ' 50' ' ' MET . 32.7 m-85 -115.1 169.79 8.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -153.19 148.45 26.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.854 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.475 ' CE2' ' HG3' ' A' ' 62' ' ' ARG . 12.3 m-85 -139.19 125.04 19.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 36.1 p -72.93 89.66 1.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.855 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.8 p -143.64 135.3 23.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.14 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.439 ' C ' ' HD2' ' A' ' 86' ' ' PRO . 0.9 OUTLIER -73.77 144.03 45.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.834 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.597 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 4.0 tp -51.95 -44.69 92.22 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.595 0.712 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 66.3 Cg_exo -48.01 -33.64 21.06 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.706 2.271 . . . . 0.0 112.314 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -88.55 -59.02 2.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 1.8 p -48.78 -33.83 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.474 ' HG3' ' CD1' ' A' ' 85' ' ' LEU . 14.2 mt-30 -53.03 -43.8 66.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.941 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 10.9 ptt180 -90.17 13.52 14.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.453 ' CZ ' ' HG ' ' A' ' 52' ' ' LEU . 45.2 mtp180 -115.27 179.43 3.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.403 HG22 ' N ' ' A' ' 93' ' ' LEU . 21.2 m -144.49 145.73 32.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.153 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.403 ' N ' HG22 ' A' ' 92' ' ' THR . 3.7 tp -93.2 105.05 17.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -70.74 100.04 1.81 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.879 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 18.6 t -115.71 102.8 14.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.107 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.463 ' HB1' ' CE ' ' A' ' 98' ' ' LYS . . . -125.64 129.83 50.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.121 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 96.1 t -108.48 103.08 14.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.158 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.463 ' CE ' ' HB1' ' A' ' 96' ' ' ALA . 3.0 ptpt -135.52 177.98 7.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.929 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 7.2 tp . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.87 0.367 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 46.9 mt -87.63 -38.07 16.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.422 ' C ' ' HB3' ' A' ' 133' ' ' LEU . . . 177.83 123.65 0.81 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.435 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -127.85 163.3 24.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.836 0.351 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 12.6 p -157.26 131.34 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.156 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -100.61 138.13 38.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.95 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 85.7 t -120.26 129.58 75.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.175 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -85.59 114.07 22.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 6.8 mt -89.93 24.5 2.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -90.85 15.79 10.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.07 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.1 m -97.46 158.79 15.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 123' ' ' LEU . 0.6 OUTLIER -85.47 -33.65 21.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.915 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -38.67 -28.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 121' ' ' GLU . 25.6 mt -45.12 -48.53 12.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.927 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 123' ' ' LEU . . . -35.83 -34.98 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 123' ' ' LEU . 45.3 mttp -105.93 -39.05 6.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 93.46 153.35 30.18 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.483 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 30.7 p90 -147.09 166.53 26.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.856 0.36 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 41.4 m -140.78 133.58 28.96 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.165 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.493 ' CG ' ' CE1' ' A' ' 131' ' ' TYR . 12.1 pt20 -161.53 159.36 27.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' TRP . . . . . 0.481 ' CE2' ' HB2' ' A' ' 14' ' ' GLN . 75.1 m95 -85.91 101.27 12.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . 0.493 ' CE1' ' CG ' ' A' ' 129' ' ' GLN . 30.1 m-85 -76.28 104.04 6.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -65.65 117.77 8.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.824 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.422 ' HB3' ' C ' ' A' ' 112' ' ' GLY . 11.9 mt -63.53 144.08 57.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 71.9 p -130.8 173.6 10.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.154 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -75.42 156.93 34.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 3.5 t70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 179.939 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 77.3 p . . . . . 0 C--O 1.231 0.09 0 CA-C-O 121.671 0.748 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -19.79 35.41 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.64 2.227 . . . . 0.0 112.355 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 62.1 mt -91.47 -43.12 9.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 143.09 -168.46 26.06 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -147.25 164.63 32.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.821 0.343 . . . . 0.0 110.881 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.0 tt -152.65 135.17 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.515 ' HB2' ' CE2' ' A' ' 130' ' ' TRP . 10.0 tt0 -100.64 122.26 43.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.8 mt -135.17 123.75 23.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.4 m -89.05 98.0 11.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.136 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 11.9 mt -96.57 110.91 25.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.145 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.0 ttt180 -142.57 110.73 6.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.511 ' CE1' ' HA ' ' A' ' 24' ' ' ASN . 6.0 t-80 -98.01 119.37 36.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.478 ' O ' ' CE1' ' A' ' 19' ' ' HIS . 4.7 t -75.09 145.32 42.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 37.1 p -79.36 -55.18 5.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -60.61 -41.41 94.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.0 mtt-85 -84.13 -19.32 34.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.511 ' HA ' ' CE1' ' A' ' 19' ' ' HIS . 10.2 m120 45.11 48.8 9.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.7 mttt -128.83 147.68 50.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.9 tp -103.98 109.9 21.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.438 ' N ' HD13 ' A' ' 27' ' ' ILE . 4.9 mp -103.06 139.59 23.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.435 ' N ' HG21 ' A' ' 27' ' ' ILE . 21.1 t -135.95 113.08 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.173 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.4 t -100.66 130.23 50.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 26.4 t -110.86 96.68 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -61.58 -72.76 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.427 ' HB1' ' CB ' ' A' ' 74' ' ' VAL . . . -171.01 154.39 4.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.145 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 46.9 m -107.71 152.03 24.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.7 ptt180 -141.5 164.18 30.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 61.9 47.89 5.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.6 mt -106.33 99.28 8.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.411 ' C ' HD11 ' A' ' 37' ' ' ILE . 2.5 pp -61.37 135.1 26.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.137 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -94.8 129.52 41.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -45.95 -25.15 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.6 t -152.29 127.31 9.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -39.53 -41.68 1.04 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -38.29 -46.41 1.09 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 134.72 140.67 4.29 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.476 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.4 m -124.59 175.24 7.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.885 0.374 . . . . 0.0 110.84 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -115.76 86.46 15.98 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.63 0.729 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 139.96 41.39 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.675 2.25 . . . . 0.0 112.324 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -149.31 134.47 18.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 59.7 t -84.53 144.18 10.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.142 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.6 ttt180 -125.22 145.16 50.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.447 ' HE3' ' CG ' ' A' ' 79' ' ' PHE . 63.4 mtm -135.12 122.43 21.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -135.05 122.5 21.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.8 tp -76.19 93.04 3.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.525 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 80.4 mt -71.21 154.49 93.82 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.6 0.714 . . . . 0.0 110.92 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 54.0 Cg_endo -69.72 -42.51 0.74 Allowed 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.351 -0.191 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 54' ' ' PRO . 19.5 m-20 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.907 0.384 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -146.57 171.05 15.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.919 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 43.2 p -96.31 172.2 8.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.166 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -57.73 158.46 6.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 75.2 t -103.98 105.23 18.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.0 m -82.41 149.29 27.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 57.5 mttt -123.77 163.21 21.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.8 mptt 48.03 41.63 15.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.865 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.7 t -160.94 140.22 10.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.11 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 45.6 mt -97.88 -33.33 11.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -108.13 80.18 1.04 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.599 0.714 . . . . 0.0 110.926 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 162.67 41.17 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.7 2.267 . . . . 0.0 112.35 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.427 ' CB ' ' HB1' ' A' ' 32' ' ' ALA . 3.6 p -150.74 109.09 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.083 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -106.74 -26.57 11.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.3 t0 43.92 31.85 0.55 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -86.93 159.64 18.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 26.9 t -130.98 118.46 20.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.789 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.447 ' CG ' ' HE3' ' A' ' 50' ' ' MET . 12.9 m-85 -101.51 167.25 10.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -146.83 155.69 42.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -149.95 123.5 9.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 36.9 p -69.47 88.6 0.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.42 ' O ' ' NE2' ' A' ' 19' ' ' HIS . 3.3 p -143.87 133.77 20.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.094 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.476 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 0.8 OUTLIER -73.83 147.1 43.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.909 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.613 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 8.1 tp -53.86 -43.76 97.0 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.572 0.701 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 65.9 Cg_exo -47.95 -32.39 17.77 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.745 2.297 . . . . 0.0 112.328 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -90.99 -61.01 1.76 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -43.03 -34.2 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.115 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -50.66 -56.12 13.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.2 mtt-85 -69.94 -33.53 72.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 87.8 mtt-85 -66.87 170.3 6.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 28.6 m -137.32 144.21 42.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.111 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.0 tp -88.18 110.03 20.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.939 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -83.08 98.99 9.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 9.8 t -112.48 111.22 35.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -133.39 123.27 25.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.063 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 43.8 t -101.59 105.08 17.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.102 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.1 pttt -128.98 176.7 7.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 34.1 p-10 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.982 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 11.7 tp . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.825 0.345 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 60.8 mt -61.57 -50.1 73.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -176.15 136.83 3.41 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.477 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -128.95 150.1 50.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.771 0.32 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 13.6 p -141.83 119.16 7.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.158 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -84.11 149.25 26.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.52 HG23 ' CE2' ' A' ' 131' ' ' TYR . 50.4 t -131.96 107.42 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.59 101.23 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.413 ' O ' ' CD1' ' A' ' 123' ' ' LEU . 53.7 mt -65.46 -7.91 16.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -82.62 37.43 0.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.7 m -79.13 -4.38 50.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 48.36 25.5 0.91 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -133.75 3.27 3.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.413 ' CD1' ' O ' ' A' ' 118' ' ' LEU . 10.3 mt -57.41 -13.38 3.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -68.62 -23.55 64.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.064 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -102.63 -46.23 4.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 95.16 141.46 11.75 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.469 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 27.5 p90 -140.9 156.28 46.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.82 0.343 . . . . 0.0 110.937 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 90.6 m -131.27 112.47 12.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.158 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.509 ' CG ' ' CE1' ' A' ' 131' ' ' TYR . 8.1 pt20 -142.7 163.45 32.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' TRP . . . . . 0.515 ' CE2' ' HB2' ' A' ' 14' ' ' GLN . 41.0 m95 -93.47 98.86 11.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . 0.52 ' CE2' HG23 ' A' ' 116' ' ' VAL . 19.3 m-85 -68.7 105.28 2.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.923 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -67.34 122.96 19.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.901 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 60.6 mt -64.95 149.85 49.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 62.0 p -142.41 168.96 18.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -67.47 156.17 37.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.951 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.417 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . 86.5 p . . . . . 0 C--O 1.23 0.074 0 CA-C-O 121.687 0.756 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 8' ' ' SER . 54.3 Cg_endo -69.68 -30.37 22.77 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.688 2.259 . . . . 0.0 112.367 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.1 mt -77.96 -47.16 19.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.945 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 140.78 179.62 18.38 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.449 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -130.65 -176.96 4.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.757 0.313 . . . . 0.0 110.956 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 9.1 tt -168.32 146.03 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.166 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.405 ' HB2' ' CE2' ' A' ' 130' ' ' TRP . 29.0 tt0 -112.55 120.22 40.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.7 mt -132.56 123.68 26.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 94.4 m -91.13 106.56 18.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 14.4 mt -98.8 122.04 50.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.157 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 64.4 ttt-85 -150.04 108.22 3.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -97.89 111.32 23.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.835 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.8 t -73.68 120.63 19.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.861 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 78.3 p -71.07 -16.4 62.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.826 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -87.9 -40.23 14.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -89.52 -20.88 23.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.9 m120 61.72 37.5 15.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -124.4 163.21 22.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.1 tp -116.19 106.69 13.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.2 mp -93.81 138.56 20.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.1 t -142.38 111.68 2.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.097 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 38.7 t -94.32 119.49 42.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.1 t -95.31 73.7 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -40.51 -74.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -175.06 166.91 3.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.111 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 66.0 m -120.96 151.15 40.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.0 ptt180 -140.61 168.33 20.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 58.48 47.56 13.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 58.4 mt -104.37 100.86 10.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.434 ' O ' ' CD1' ' A' ' 37' ' ' ILE . 2.8 pp -59.41 128.66 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.41 124.69 34.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.089 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -47.08 -22.28 0.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.6 t -147.52 142.15 26.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.832 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 42' ' ' ASP . 12.7 pt-20 -56.48 -49.44 74.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.43 ' N ' ' HG3' ' A' ' 41' ' ' GLU . 0.5 OUTLIER -36.8 -44.8 0.5 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 146.41 153.09 5.79 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.536 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.2 m -133.66 159.77 39.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.89 0.376 . . . . 0.0 110.84 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.1 83.55 2.33 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.623 0.725 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 153.97 68.04 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.677 2.251 . . . . 0.0 112.311 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -167.17 138.41 3.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 67.0 t -91.5 151.9 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.115 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -135.45 140.82 45.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 61.0 mtm -123.87 127.4 47.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -136.22 122.94 21.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.8 tp -78.43 98.98 6.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.939 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.525 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 78.9 mt -75.01 154.58 86.68 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.62 0.724 . . . . 0.0 110.912 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.5 Cg_endo -69.75 -38.17 1.72 Allowed 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.643 -1.815 . . . . 0.0 112.348 -0.153 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.462 ' C ' ' O ' ' A' ' 54' ' ' PRO . 3.5 m-20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.419 ' HG3' ' CD2' ' A' ' 79' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.876 0.369 . . . . 0.0 110.898 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.6 ptmt -134.67 168.92 18.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 27.9 p -100.43 171.44 7.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.41 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 13.1 m-70 -56.67 152.2 12.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 33.6 t -97.06 115.89 37.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.109 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.9 m -84.91 139.14 32.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -114.1 143.53 44.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? 58.89 52.98 6.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -165.73 149.54 8.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 90.7 mt -105.7 -22.76 12.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -117.6 82.9 16.48 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.58 0.705 . . . . 0.0 110.896 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.431 ' HB2' ' CZ ' ' A' ' 75' ' ' PHE . 53.7 Cg_endo -69.76 138.78 38.62 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.684 2.256 . . . . 0.0 112.331 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 54.6 t -126.64 115.36 41.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.091 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.431 ' CZ ' ' HB2' ' A' ' 73' ' ' PRO . 7.7 m-85 -110.29 -61.02 1.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.4 t0 72.65 28.87 2.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -88.35 156.59 19.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.4 t -125.08 118.11 25.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.428 ' CD1' ' N ' ' A' ' 79' ' ' PHE . 5.4 m-85 -108.08 149.85 27.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.886 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.09 153.84 50.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.831 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -142.65 126.46 17.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 48.2 p -70.79 91.52 0.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.6 p -143.6 133.93 21.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.075 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.465 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 1.0 OUTLIER -75.12 146.8 41.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.853 -179.834 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.609 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 4.3 tp -52.99 -44.4 96.87 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.63 0.729 . . . . 0.0 110.895 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 65.9 Cg_exo -47.97 -32.24 17.58 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.71 2.273 . . . . 0.0 112.333 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -92.56 -54.26 3.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.454 HG12 ' N ' ' A' ' 89' ' ' GLN . 0.8 OUTLIER -47.45 -34.74 3.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.454 ' N ' HG12 ' A' ' 88' ' ' VAL . 74.1 mt-30 -55.48 -57.68 10.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -69.51 -23.44 63.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 12.8 mtp85 -81.08 174.54 11.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.41 ' CG2' ' N ' ' A' ' 93' ' ' LEU . 53.5 m -141.39 156.67 45.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.41 ' N ' ' CG2' ' A' ' 92' ' ' THR . 11.2 tp -99.76 111.36 23.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -84.31 102.49 12.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 23.5 t -110.79 100.65 11.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.125 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.416 ' HB2' ' CE ' ' A' ' 98' ' ' LYS . . . -117.73 117.01 28.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 64.8 t -100.24 108.05 22.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.165 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.416 ' CE ' ' HB2' ' A' ' 96' ' ' ALA . 0.1 OUTLIER -132.4 176.49 8.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.4 ' N ' HD13 ' A' ' 111' ' ' LEU . 4.5 p30 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.427 HD12 ' N ' ' A' ' 112' ' ' GLY . 3.2 tp . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.881 0.372 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.4 HD13 ' N ' ' A' ' 99' ' ' ASN . 3.9 mt -102.7 -30.62 10.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.427 ' N ' HD12 ' A' ' 110' ' ' LEU . . . -174.17 125.45 1.11 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.474 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.461 ' CA ' HD22 ' A' ' 133' ' ' LEU . 12.3 ptmt -136.84 160.03 40.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 7.6 p -161.8 138.73 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.125 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -97.28 148.59 22.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.92 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 71.0 t -128.31 116.65 42.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.154 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -77.59 112.78 14.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.066 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 6.4 mt -90.08 25.92 2.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.876 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -93.38 26.94 2.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.075 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.7 m -91.19 -175.96 4.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.819 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -121.61 -6.54 9.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -89.08 17.84 5.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 27.7 mt -75.59 -29.49 59.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.949 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -54.06 -38.91 65.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.28 -46.4 5.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 105.96 159.59 22.55 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.503 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 25.1 p90 -148.03 161.95 40.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.826 0.346 . . . . 0.0 110.951 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 89.4 m -133.77 131.17 39.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.119 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -161.05 165.22 30.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' TRP . . . . . 0.405 ' CE2' ' HB2' ' A' ' 14' ' ' GLN . 71.9 m95 -97.13 117.19 30.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -90.78 102.97 15.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.943 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -61.16 116.68 4.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.461 HD22 ' CA ' ' A' ' 113' ' ' LYS . 67.6 mt -65.09 146.69 54.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.942 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 59.3 p -133.88 -178.03 4.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.17 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -78.96 171.21 15.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.6 m . . . . . 0 C--O 1.232 0.145 0 CA-C-O 121.645 0.736 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -22.22 32.38 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.741 2.294 . . . . 0.0 112.315 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 91.6 mt -89.35 -48.93 7.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 142.86 -177.19 22.02 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.519 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -136.38 -179.07 5.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.716 0.293 . . . . 0.0 110.932 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.7 tt -166.0 137.95 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -105.85 119.63 39.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.3 mt -135.11 140.03 45.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 93.9 m -104.54 104.19 13.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.179 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 61.2 mt -98.8 119.78 47.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.126 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.8 ttm105 -147.73 116.03 6.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.47 ' CE1' ' HB2' ' A' ' 85' ' ' LEU . 28.5 t-80 -99.74 102.36 13.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.4 t -70.68 137.81 50.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.899 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 63.8 p -82.91 -40.24 20.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -66.9 -14.56 62.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.921 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.7 mmm-85 -119.25 -29.92 5.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.1 m120 62.69 44.63 6.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.7 mttt -131.65 147.13 52.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 24.6 tp -101.26 108.17 19.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.7 mp -97.64 130.26 46.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.114 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.9 t -132.06 112.86 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.3 t -96.83 132.32 41.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.092 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.7 t -106.38 91.64 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -56.34 -73.15 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.422 ' HB1' ' CB ' ' A' ' 74' ' ' VAL . . . -172.24 159.1 4.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.092 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 63.2 m -111.31 143.98 41.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -133.81 172.11 13.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.494 ' N ' HD21 ' A' ' 35' ' ' ASN . 1.4 m-80 51.88 44.19 29.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 86.5 mt -101.02 93.0 5.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.42 HD12 ' C ' ' A' ' 37' ' ' ILE . 2.5 pp -53.98 150.11 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -110.66 131.94 54.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -51.85 -29.07 18.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 41' ' ' GLU . 4.2 t -144.68 117.48 8.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 40' ' ' SER . 7.6 mm-40 -34.44 -44.79 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 41' ' ' GLU . 10.9 t0 -35.32 -49.08 0.5 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.88 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 152.14 153.16 6.16 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.0 p -138.94 158.7 43.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.846 0.355 . . . . 0.0 110.859 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.74 84.13 3.96 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.585 0.707 . . . . 0.0 110.831 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 140.68 43.29 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.71 2.274 . . . . 0.0 112.323 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -148.01 133.43 18.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.408 HG13 ' N ' ' A' ' 49' ' ' ARG . 58.6 t -92.24 144.49 9.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.173 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.422 ' HD2' ' C ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -134.09 150.02 51.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 67.4 mtm -137.85 151.81 48.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -148.91 167.55 25.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.405 ' O ' ' O ' ' A' ' 55' ' ' ASP . 15.3 tp -123.34 87.89 2.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.525 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 45.3 mt -66.22 153.2 92.82 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.598 0.713 . . . . 0.0 110.904 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.6 Cg_endo -69.78 -46.77 0.34 Allowed 'Cis proline' 0 C--O 1.232 0.177 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.346 -0.1 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.873 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.557 ' HG3' ' CE2' ' A' ' 81' ' ' PHE . 28.3 mmt-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.885 0.374 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.3 pttt -137.77 169.23 18.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 49.3 p -96.49 156.48 16.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.163 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.418 ' CD2' ' H ' ' A' ' 66' ' ' VAL . 13.2 t-80 -53.2 156.29 2.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.418 ' H ' ' CD2' ' A' ' 65' ' ' HIS . 59.5 t -95.11 108.4 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.8 m -90.26 146.93 23.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 72.0 mttt -119.16 165.3 14.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp 47.56 53.33 11.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.3 t -169.15 128.51 1.04 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 21.0 mt -89.52 -30.86 17.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 14.0 p-10 -115.07 78.22 5.5 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.65 0.738 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 162.78 40.79 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.649 2.233 . . . . 0.0 112.368 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.422 ' CB ' ' HB1' ' A' ' 32' ' ' ALA . 2.6 p -150.36 120.15 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.476 ' O ' ' N ' ' A' ' 77' ' ' GLN . 1.4 m-85 -114.76 -21.75 10.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 75' ' ' PHE . 1.5 m-20 36.56 30.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 75' ' ' PHE . 5.1 tt0 -82.77 164.58 20.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.8 t -130.39 117.82 20.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -102.74 174.49 5.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -154.6 153.39 31.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.557 ' CE2' ' HG3' ' A' ' 62' ' ' ARG . 51.0 m-85 -143.26 118.42 10.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 52.5 p -68.91 88.82 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.833 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.4 p -143.83 134.21 21.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.112 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.474 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 1.4 m -73.87 146.51 44.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.597 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 0.3 OUTLIER -50.71 -44.91 85.81 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.612 0.72 . . . . 0.0 110.946 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 65.0 Cg_exo -48.0 -41.66 32.85 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.718 2.279 . . . . 0.0 112.335 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 89' ' ' GLN . 33.6 mt-10 -82.57 -57.3 3.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -40.81 -24.45 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.163 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 87' ' ' GLU . 62.0 mt-30 -61.16 -57.78 11.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.5 mtp-105 -73.36 -18.87 61.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 41.2 mtt180 -80.84 168.08 19.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 97.8 m -139.51 153.06 47.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.122 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.9 tp -97.96 101.83 13.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.63 102.81 5.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 11.3 t -112.63 110.65 32.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -128.99 124.95 36.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.084 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 75.8 t -104.44 103.42 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.58 -177.51 3.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.843 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.412 ' OD1' ' N ' ' A' ' 99' ' ' ASN . 12.4 p-10 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.43 ' CD2' ' HB2' ' A' ' 136' ' ' ASP . 7.0 tp . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.828 0.347 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 96.0 mt -92.03 -45.65 8.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -173.23 145.85 8.6 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.478 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -150.49 150.2 30.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.831 0.348 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 7.2 p -145.43 130.18 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -93.79 148.66 21.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 96.2 t -131.19 117.75 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -74.78 109.68 8.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 21.7 mt -85.66 25.2 1.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -90.55 23.76 2.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.074 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.8 t -101.35 159.87 14.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -90.64 -33.03 15.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -43.33 -24.47 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 124' ' ' ALA . 18.6 mt -44.25 -48.1 9.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 123' ' ' LEU . . . -37.27 -34.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 179.786 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -105.57 -42.99 5.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 98.72 160.64 29.83 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.443 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 30.3 p90 -147.42 171.81 14.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.865 0.364 . . . . 0.0 110.872 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 89.4 m -144.11 123.68 13.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -157.95 166.88 31.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' TRP . . . . . . . . . . . . . 80.7 m95 -91.78 109.41 20.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -79.92 103.84 10.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.968 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.88 120.53 10.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.83 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 51.4 mt -69.0 155.24 40.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.938 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 34.6 p -147.94 161.47 41.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -74.24 158.98 33.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . 0.43 ' HB2' ' CD2' ' A' ' 110' ' ' LEU . 14.0 t0 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.9 p -128.06 139.0 52.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.886 0.374 . . . . 0.0 110.906 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.8 m -69.91 123.55 21.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.04 -136.32 2.91 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.436 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 m -50.04 153.8 1.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.904 0.383 . . . . 0.0 110.879 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.4 m -124.17 99.14 6.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.82 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.13 -152.25 18.17 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.437 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.4 m -119.32 83.17 25.13 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.69 0.757 . . . . 0.0 110.865 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -31.07 21.26 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.702 2.268 . . . . 0.0 112.356 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 50.9 mt -62.78 -46.72 86.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 134.7 176.78 14.53 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.513 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -134.52 -176.34 4.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.758 0.313 . . . . 0.0 110.937 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.4 ' CD1' HG23 ' A' ' 48' ' ' VAL . 12.3 tt -169.24 141.75 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.551 ' OE1' ' CD1' ' A' ' 130' ' ' TRP . 5.1 tt0 -109.98 120.33 42.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.5 mt -132.01 123.31 27.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 45.7 m -88.31 105.09 17.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 58.9 mt -97.56 126.63 50.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.151 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.2 ttt180 -151.6 109.37 3.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 -102.95 117.0 33.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.6 t -83.89 136.07 34.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.6 t -79.11 -33.94 43.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.838 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.442 ' OE1' ' NH1' ' A' ' 23' ' ' ARG . 47.0 tt0 -67.48 -48.61 66.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.98 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.442 ' NH1' ' OE1' ' A' ' 22' ' ' GLN . 7.1 mpt_? -86.78 -10.84 52.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 47.49 48.91 16.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -130.15 157.65 41.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 49.1 tp -111.85 106.98 15.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.945 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.0 mp -95.37 130.24 44.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.15 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.9 t -136.08 114.49 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.156 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 20.8 t -99.44 135.92 32.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.138 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.3 t -108.71 81.73 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -46.6 -74.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -175.04 169.9 3.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.126 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 14.8 m -120.41 155.13 34.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -143.93 164.69 29.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.818 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 56.03 44.46 25.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.4 mt -98.58 94.0 6.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.7 pp -51.43 141.48 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.139 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.418 ' HB3' ' CD2' ' A' ' 71' ' ' LEU . . . -105.52 129.07 53.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.089 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -54.39 -18.52 4.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.9 t -154.91 122.92 5.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -46.07 -39.05 8.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -38.61 -48.0 1.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 154.58 132.85 1.68 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.433 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.8 p -117.61 159.28 23.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.829 0.347 . . . . 0.0 110.872 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.28 81.71 10.96 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.633 0.73 . . . . 0.0 110.876 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 147.03 62.04 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.685 2.257 . . . . 0.0 112.367 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 14.6 p90 -158.67 144.6 16.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.942 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.4 HG23 ' CD1' ' A' ' 13' ' ' ILE . 62.7 t -94.66 140.1 17.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.102 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.475 ' NE ' ' CD1' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -121.96 124.9 45.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.423 ' HE1' ' CG ' ' A' ' 79' ' ' PHE . 40.3 mtm -112.69 125.48 54.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.475 ' CD1' ' NE ' ' A' ' 49' ' ' ARG . 5.4 m-85 -134.41 133.17 40.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.891 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.4 tp -88.69 92.02 9.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.962 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.52 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 2.3 mm? -69.77 154.94 94.31 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.62 0.724 . . . . 0.0 110.909 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.52 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.6 Cg_endo -69.78 -40.05 1.19 Allowed 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.322 -0.103 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 54' ' ' PRO . 1.8 m-20 -36.57 119.85 0.65 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 57' ' ' ARG . 33.6 mtmt -122.07 13.16 10.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 56' ' ' LYS . 50.3 mtt180 -35.43 136.49 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 77.6 mtm-85 -85.45 26.81 0.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.2 p -108.64 -47.27 3.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.829 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -85.0 15.36 44.04 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.498 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.3 ttm180 -51.86 116.77 2.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 0.0 110.86 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 17.5 mmt180 -118.08 110.36 17.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.5 ptmm? -132.35 166.09 22.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 57.0 p -96.66 170.08 9.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 47.9 t60 -52.8 156.21 2.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 90.5 t -106.51 103.0 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 61.6 m -71.2 143.16 50.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.838 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.8 mtpt -117.45 144.97 44.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.905 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 35.8 mmtm 59.06 49.82 8.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.0 t -165.16 146.81 7.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.1 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.418 ' CD2' ' HB3' ' A' ' 38' ' ' ALA . 66.4 mt -102.32 -29.18 11.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.974 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 24.5 p30 -109.21 80.99 1.52 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.64 0.733 . . . . 0.0 110.945 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.426 ' HB2' ' CZ ' ' A' ' 75' ' ' PHE . 53.7 Cg_endo -69.75 152.14 69.31 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.736 2.291 . . . . 0.0 112.32 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 60.0 t -136.79 120.85 23.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.426 ' CZ ' ' HB2' ' A' ' 73' ' ' PRO . 0.9 OUTLIER -118.44 -38.52 3.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 45.84 32.4 1.27 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.856 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -91.67 165.83 13.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 40.7 t -131.02 127.15 37.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.423 ' CG ' ' HE1' ' A' ' 50' ' ' MET . 10.8 m-85 -109.58 168.39 9.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -150.45 150.21 31.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -145.56 121.97 10.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 33.2 p -69.62 91.27 0.59 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.896 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.7 p -143.51 134.81 22.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.135 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.484 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 0.8 OUTLIER -73.77 148.53 42.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.835 -179.836 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.621 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 3.9 tp -54.83 -43.65 98.82 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.579 0.704 . . . . 0.0 110.929 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 65.5 Cg_exo -48.01 -35.29 25.04 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.667 2.244 . . . . 0.0 112.314 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -88.89 -62.76 1.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 1.4 p -43.76 -25.05 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.073 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.421 ' CD ' ' HG ' ' A' ' 85' ' ' LEU . 61.1 mt-30 -62.63 -57.63 10.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -76.18 -2.38 30.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 33.6 mtp180 -97.63 173.57 7.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.4 m -138.85 152.71 48.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.2 tp -103.52 97.44 7.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.41 ' OD2' ' NE ' ' A' ' 49' ' ' ARG . 10.0 t70 -70.12 104.75 2.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 24.4 t -113.83 101.86 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.101 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.413 ' HB3' ' NZ ' ' A' ' 98' ' ' LYS . . . -119.06 133.35 55.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.167 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 98.8 t -108.64 98.7 7.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.143 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.413 ' NZ ' ' HB3' ' A' ' 96' ' ' ALA . 13.9 mttp -113.14 176.17 5.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 25.5 p-10 -109.04 127.95 54.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 37.2 t -80.0 47.42 0.88 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.828 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -92.07 63.98 2.39 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.485 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -84.13 39.19 2.87 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.512 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -113.29 105.57 13.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.859 0.362 . . . . 0.0 110.919 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.8 mm? 61.44 42.28 11.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -132.79 -52.85 0.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm 71.21 36.94 1.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.858 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -161.71 158.04 25.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.21 -23.98 35.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 50.11 81.75 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.515 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 11.1 tp -69.6 116.64 10.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.808 0.337 . . . . 0.0 110.89 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 14.5 mt -87.78 -43.45 11.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -172.57 146.82 9.4 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -151.68 148.33 27.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.807 0.336 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 7.6 p -142.89 141.95 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.104 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -104.43 144.84 31.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 84.0 t -126.57 133.75 67.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -89.62 112.9 24.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.04 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 26.7 mt -87.54 23.06 2.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -89.02 27.75 1.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.097 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 42.3 t -96.99 155.0 16.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.825 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -94.26 -23.67 17.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -83.55 37.29 0.57 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 15.1 mt -85.14 -37.08 20.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -50.29 -43.43 53.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 34.1 mttp -75.45 -48.55 22.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 96.09 151.11 27.8 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.498 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 21.0 p90 -141.51 163.63 32.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.828 0.347 . . . . 0.0 110.937 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 18.0 m -132.75 127.18 34.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.187 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -158.86 162.4 36.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.959 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' TRP . . . . . 0.551 ' CD1' ' OE1' ' A' ' 14' ' ' GLN . 78.0 m95 -95.78 110.27 22.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -81.34 101.83 10.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.948 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.61 112.2 1.9 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.407 ' C ' HG21 ' A' ' 134' ' ' THR . 57.8 mt -61.81 146.16 50.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.956 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' THR . . . . . 0.407 HG21 ' C ' ' A' ' 133' ' ' LEU . 18.1 p -135.77 172.6 12.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -67.68 167.35 13.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -57.95 -44.24 86.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.821 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 30.0 t -40.7 100.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -178.05 157.02 20.86 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.493 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 135.79 31.36 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.711 2.274 . . . . 0.0 112.322 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 69.8 m -108.51 78.0 1.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.821 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 41.0 t -85.15 70.43 10.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.842 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.48 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.8 m -48.73 172.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.845 0.355 . . . . 0.0 110.868 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.6 m -97.47 126.78 42.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.91 83.67 0.34 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.513 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.4 p -70.29 88.41 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.896 0.379 . . . . 0.0 110.82 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -89.09 127.01 35.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.848 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.72 -162.38 9.13 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.479 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.8 m -130.03 117.9 18.29 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.692 0.758 . . . . 0.0 110.863 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -30.22 22.77 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.686 2.257 . . . . 0.0 112.335 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.452 ' CD1' ' C ' ' A' ' 134' ' ' THR . 42.6 mt -93.92 -39.61 10.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.978 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 140.88 -167.37 25.65 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -144.05 171.12 14.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.813 0.34 . . . . 0.0 110.9 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.3 tt -158.06 142.33 7.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.155 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.489 ' HB2' ' CE2' ' A' ' 130' ' ' TRP . 30.4 tt0 -111.9 116.33 30.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.415 ' CD1' HG12 ' A' ' 95' ' ' VAL . 8.9 mt -129.18 127.06 40.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.956 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 90.1 m -92.29 104.56 16.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 51.3 mt -97.28 123.88 49.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.16 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.6 ttt-85 -150.59 106.79 3.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 -99.66 123.97 44.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.0 t -93.22 135.86 34.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 90.6 p -74.42 -54.57 7.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.826 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -56.52 -43.13 79.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.956 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.446 ' O ' ' CG ' ' A' ' 24' ' ' ASN . 39.5 mtt-85 -85.36 -18.6 33.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.446 ' CG ' ' O ' ' A' ' 23' ' ' ARG . 6.8 p-10 46.23 40.65 7.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.1 mttt -123.93 141.87 51.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 48.1 tp -99.07 112.91 24.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.97 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.9 mp -103.53 129.5 55.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 50.8 t -133.99 112.75 16.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.419 HG13 ' N ' ' A' ' 30' ' ' VAL . 43.3 t -97.23 140.58 17.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.419 ' N ' HG13 ' A' ' 29' ' ' VAL . 12.6 t -114.76 77.61 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.13 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -44.16 -73.07 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -174.64 163.09 3.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.8 m -114.39 154.39 28.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -141.6 165.95 26.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 55.26 42.9 29.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 37.7 mt -98.14 87.72 4.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.427 ' CD1' ' C ' ' A' ' 37' ' ' ILE . 1.8 pp -45.96 151.39 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -116.23 127.59 54.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -48.57 -24.54 1.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.6 t -145.53 118.67 8.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 42' ' ' ASP . 11.2 pt-20 -39.09 -45.13 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 41' ' ' GLU . 8.1 t70 -35.69 -50.43 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 158.62 148.47 5.19 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.517 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.3 p -131.97 155.9 47.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.908 0.385 . . . . 0.0 110.845 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.92 80.85 1.36 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.634 0.731 . . . . 0.0 110.851 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 144.7 55.0 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.665 2.243 . . . . 0.0 112.398 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -157.99 133.87 9.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 77.1 t -85.47 143.46 11.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.118 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 19.0 ttm180 -125.96 131.5 52.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.561 ' HE3' ' CD1' ' A' ' 79' ' ' PHE . 58.0 mtm -116.17 137.52 52.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -152.29 113.38 4.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.3 tp -73.15 93.45 1.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.533 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 72.8 mt -65.32 152.36 92.09 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.609 0.719 . . . . 0.0 110.918 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.5 Cg_endo -69.76 -34.96 2.87 Favored 'Cis proline' 0 C--N 1.341 0.152 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.345 -0.146 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 54' ' ' PRO . 2.3 m-20 -35.88 109.37 0.09 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.405 ' CG ' HD22 ' A' ' 53' ' ' LEU . 22.4 mtpt -125.0 14.92 8.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 33.1 mtt85 -63.29 135.15 56.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.06 -17.82 64.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.824 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.2 m -48.32 -69.41 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -92.62 48.82 2.57 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.528 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -85.91 139.55 31.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.83 0.348 . . . . 0.0 110.836 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.431 ' HB3' ' CD2' ' A' ' 79' ' ' PHE . 66.4 mmt-85 -136.23 112.21 9.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt -130.72 170.39 14.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 41.6 p -96.32 160.02 14.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 63.9 m-70 -53.04 167.84 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.873 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 95.4 t -110.18 109.43 28.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.426 ' OG ' ' CG2' ' A' ' 70' ' ' THR . 11.8 p -72.82 148.13 44.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 17.4 mtpt -121.21 140.66 51.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.943 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? 56.63 50.61 12.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.426 ' CG2' ' OG ' ' A' ' 67' ' ' SER . 4.3 t -163.38 142.8 8.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.153 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 72.3 mt -98.59 -31.11 12.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -108.89 81.65 1.57 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.628 0.728 . . . . 0.0 110.871 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.541 ' HB2' ' CZ ' ' A' ' 75' ' ' PHE . 53.5 Cg_endo -69.76 146.34 59.87 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.677 2.251 . . . . 0.0 112.376 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 63.1 t -131.03 115.71 30.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.541 ' CZ ' ' HB2' ' A' ' 73' ' ' PRO . 1.4 m-85 -113.59 -38.12 4.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.8 t70 46.91 35.35 3.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -89.99 161.16 16.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.97 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 27.9 t -130.51 118.18 20.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.839 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.561 ' CD1' ' HE3' ' A' ' 50' ' ' MET . 15.4 m-85 -103.26 160.37 14.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -140.87 152.49 45.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -149.37 118.25 6.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 42.7 p -68.75 91.07 0.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.846 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.0 p -143.28 136.34 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.109 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.431 ' C ' ' HD2' ' A' ' 86' ' ' PRO . 4.1 m -75.09 139.25 42.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.554 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 2.0 tp -46.25 -47.53 45.34 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.625 0.726 . . . . 0.0 110.884 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.554 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 65.3 Cg_exo -47.99 -30.81 14.56 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.735 2.29 . . . . 0.0 112.31 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -91.44 -43.45 9.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.904 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -64.81 -19.79 26.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.156 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.473 ' CG ' HD13 ' A' ' 85' ' ' LEU . 80.1 mt-30 -64.87 -55.95 16.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -73.82 -7.06 50.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -95.27 173.54 7.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 62.2 m -143.65 146.05 32.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.5 tp -91.21 104.18 16.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -74.35 100.2 3.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.415 HG12 ' CD1' ' A' ' 15' ' ' LEU . 21.6 t -111.32 100.88 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -116.99 124.84 50.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 53.8 t -104.72 117.84 51.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.59 -176.5 5.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -92.5 141.01 28.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.943 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 72.5 p -66.12 154.41 39.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -109.22 -86.93 1.82 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.474 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 129.2 -133.2 7.45 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 14.4 p90 -130.69 17.46 5.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.924 0.393 . . . . 0.0 110.856 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 6.5 mt -98.69 -34.02 10.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 61.5 m -120.14 -174.88 2.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.78 -3.57 4.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.912 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -96.04 151.89 19.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.31 -29.92 7.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 46.01 83.09 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.466 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.1 tp -67.01 127.73 33.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.85 0.357 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 42.4 mt -88.35 -31.04 19.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.413 ' C ' HD22 ' A' ' 133' ' ' LEU . . . -178.23 148.0 8.28 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.519 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 7.9 ptmm? -151.02 147.92 27.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.797 0.332 . . . . 0.0 110.94 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 12.1 p -147.84 129.04 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.124 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -93.67 144.24 25.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.419 HG22 ' CE2' ' A' ' 131' ' ' TYR . 95.5 t -124.67 118.95 54.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.081 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -77.92 108.16 10.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 5.9 mt -84.21 24.88 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -84.47 24.22 1.02 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.054 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 46.2 t -85.72 178.87 7.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.855 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -124.15 -21.19 5.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -83.23 17.46 2.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 9.6 mt -59.67 -47.82 84.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -45.14 -33.75 2.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.11 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 11.5 mmmt -83.73 -29.66 27.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 73.82 150.9 1.85 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.517 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 21.4 p90 -148.22 165.69 30.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.787 0.327 . . . . 0.0 110.939 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 93.2 m -135.44 130.19 34.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.115 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -161.21 156.12 23.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' TRP . . . . . 0.489 ' CE2' ' HB2' ' A' ' 14' ' ' GLN . 86.5 m95 -89.56 116.23 27.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 0.419 ' CE2' HG22 ' A' ' 116' ' ' VAL . 31.5 m-85 -88.66 99.66 12.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.949 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -54.42 125.12 18.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.413 HD22 ' C ' ' A' ' 112' ' ' GLY . 28.8 mt -73.68 141.97 46.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' THR . . . . . 0.452 ' C ' ' CD1' ' A' ' 10' ' ' LEU . 82.4 p -125.34 -179.67 4.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.168 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -79.81 173.7 12.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.14 106.21 18.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 56.3 p -67.64 125.69 26.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 81.92 171.52 46.09 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.472 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -44.19 2.21 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.68 2.253 . . . . 0.0 112.341 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 7.4 t -54.31 98.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 8.3 t -78.03 92.84 4.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.521 -179.985 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.0 p -131.34 126.53 35.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.898 0.38 . . . . 0.0 110.873 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.8 p -96.73 163.37 13.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.21 -64.19 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.49 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.1 p -131.03 -53.45 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.883 0.373 . . . . 0.0 110.828 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -103.03 105.14 15.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.826 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.82 -75.48 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.512 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.457 ' CB ' ' HG3' ' A' ' 12' ' ' GLN . 20.3 m -107.2 92.54 8.09 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.677 0.751 . . . . 0.0 110.902 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -21.07 34.13 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.666 2.244 . . . . 0.0 112.339 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.413 ' CD1' ' HA ' ' A' ' 134' ' ' THR . 92.3 mt -93.5 -47.94 6.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 155.4 163.49 12.18 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.498 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.457 ' HG3' ' CB ' ' A' ' 8' ' ' SER . 23.0 mt-30 -125.25 166.7 16.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.762 0.315 . . . . 0.0 110.944 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 18.6 tt -159.03 128.92 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.525 ' NE2' ' NE1' ' A' ' 130' ' ' TRP . 29.9 tt0 -102.11 123.19 45.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.2 mt -136.39 139.67 42.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 88.9 m -103.75 104.61 14.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 25.0 mt -98.8 116.47 41.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 36.6 ttt180 -147.64 106.31 3.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.437 ' CE1' ' HB2' ' A' ' 85' ' ' LEU . 11.4 t-80 -98.4 117.23 32.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.829 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 24' ' ' ASN . 5.1 t -83.51 125.47 31.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.43 ' O ' ' ND2' ' A' ' 24' ' ' ASN . 35.9 t -66.28 -53.73 33.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -50.26 -51.14 47.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.963 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.7 mtm180 -82.23 -21.44 36.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.493 ' N ' ' O ' ' A' ' 20' ' ' SER . 0.9 OUTLIER 54.58 53.98 9.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.894 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.8 mttt -135.64 153.08 51.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.9 tp -110.99 105.97 14.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.1 mp -97.07 130.63 45.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 28.8 t -132.28 116.25 28.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.108 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.3 t -102.14 131.03 51.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.119 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 20.3 t -105.91 77.88 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.153 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -41.11 -74.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -174.98 161.6 2.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 71.9 m -107.46 160.69 15.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -153.23 160.9 42.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 61.0 m-20 57.52 45.02 20.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 74.3 mt -98.63 86.94 3.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.409 HD13 ' C ' ' A' ' 37' ' ' ILE . 2.3 pp -48.39 132.92 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.15 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -93.83 132.17 38.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.154 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.555 ' CE2' ' O ' ' A' ' 108' ' ' LYS . 3.5 t80 -54.66 -23.08 15.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 41' ' ' GLU . 8.2 t -147.79 117.92 7.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 42' ' ' ASP . 31.9 mp0 -37.1 -45.56 0.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 41' ' ' GLU . 15.1 t70 -35.06 -50.42 0.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.834 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 147.57 137.07 2.88 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.524 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 53.6 m -122.21 167.58 13.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.859 0.362 . . . . 0.0 110.84 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.89 82.84 7.06 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.613 0.72 . . . . 0.0 110.896 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 144.06 52.81 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.688 2.259 . . . . 0.0 112.348 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 18.9 p90 -157.25 152.18 25.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.448 HG11 ' N ' ' A' ' 49' ' ' ARG . 79.6 t -99.74 156.83 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.14 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.448 ' N ' HG11 ' A' ' 48' ' ' VAL . 4.9 tpt180 -141.28 134.43 29.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.411 ' O ' ' CD1' ' A' ' 51' ' ' TYR . 48.4 mtm -119.57 139.12 52.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.445 ' CZ ' ' HB2' ' A' ' 61' ' ' ARG . 11.6 m-85 -151.13 120.75 6.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.939 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.1 tp -79.08 93.27 5.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.519 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 54.3 mt -73.49 151.95 89.63 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.571 0.7 . . . . 0.0 110.909 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.519 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.5 Cg_endo -69.81 -32.47 3.92 Favored 'Cis proline' 0 C--O 1.231 0.174 0 C-N-CA 122.709 -1.788 . . . . 0.0 112.336 -0.08 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 54' ' ' PRO . 11.8 m-20 -34.37 127.57 0.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.1 mtpt -126.9 31.81 5.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 55.6 mtt-85 -47.08 149.73 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.467 ' O ' ' CD ' ' A' ' 61' ' ' ARG . 13.0 mtp-105 -82.41 -38.73 23.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.0 t -75.58 -59.31 2.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -44.2 -31.34 2.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.466 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.467 ' CD ' ' O ' ' A' ' 58' ' ' ARG . 8.4 ptt180 -51.83 133.67 31.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.782 0.325 . . . . 0.0 110.886 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.3 mmp_? -131.07 133.83 46.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.2 ptpp? -138.49 166.43 24.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 40.8 p -98.12 176.58 5.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 -62.53 156.08 24.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 45.0 t -106.82 100.75 11.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 67.0 m -74.95 146.64 41.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.8 mttm -123.13 156.55 34.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.892 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.8 mmtp 56.67 44.24 24.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.3 t -163.74 166.4 22.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.146 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 56.9 mt -121.2 -26.53 5.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -110.38 77.05 1.16 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.6 0.714 . . . . 0.0 110.869 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 144.63 54.75 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.743 2.296 . . . . 0.0 112.355 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 91.2 t -125.76 120.79 58.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -114.31 -49.4 2.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.1 t70 53.82 39.93 30.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -96.12 161.01 14.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.4 t -130.45 110.87 11.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.858 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.409 ' CD1' ' N ' ' A' ' 79' ' ' PHE . 7.6 m-85 -99.78 159.88 14.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.412 ' O ' ' CD1' ' A' ' 81' ' ' PHE . 0.1 OUTLIER -143.42 156.86 44.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.865 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.412 ' CD1' ' O ' ' A' ' 80' ' ' ASP . 9.2 m-85 -149.97 136.98 19.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 40.0 p -85.76 90.3 8.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.4 p -143.77 137.85 24.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.099 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.423 ' C ' ' HD2' ' A' ' 86' ' ' PRO . 3.3 m -73.82 135.49 43.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.849 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.529 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 1.1 tp -43.72 -48.85 20.28 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.632 0.73 . . . . 0.0 110.942 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.529 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 64.9 Cg_exo -47.97 -34.22 22.2 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.691 2.261 . . . . 0.0 112.378 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.63 -50.42 8.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.422 HG21 ' CD1' ' A' ' 118' ' ' LEU . 1.4 p -64.68 -14.38 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.176 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.463 ' HG3' ' CD1' ' A' ' 85' ' ' LEU . 8.0 mt-30 -65.86 -59.09 4.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.08 4.38 6.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.856 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 48.6 mtt-85 -98.04 172.88 7.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 38.8 m -137.71 133.65 34.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.157 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.7 tp -83.7 100.69 11.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.451 ' HA ' ' CD1' ' A' ' 115' ' ' LEU . 15.7 t70 -73.45 97.58 2.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 19.4 t -109.13 103.25 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -125.34 125.09 42.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.8 t -102.66 105.37 18.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.447 ' N ' ' HD3' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -119.59 -178.65 3.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 179.873 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -105.84 144.31 32.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 42.4 t -73.51 155.67 38.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.819 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 159.67 -69.29 0.25 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -159.11 -169.51 22.53 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.465 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.454 ' O ' ' C ' ' A' ' 104' ' ' LEU . 4.6 t80 -89.74 166.89 13.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.902 0.382 . . . . 0.0 110.886 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.454 ' C ' ' O ' ' A' ' 103' ' ' PHE . 0.3 OUTLIER -33.68 -42.08 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.907 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.9 t -41.93 -65.87 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 14.6 mmtp -112.55 30.45 7.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -73.67 143.3 46.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.555 ' O ' ' CE2' ' A' ' 39' ' ' PHE . 40.8 mttp -68.33 -27.98 66.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 128.64 153.5 8.04 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.3 tp -72.8 114.83 11.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.794 0.331 . . . . 0.0 110.948 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 69.2 mt -67.23 -54.41 21.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -170.13 144.11 8.26 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.489 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -143.7 155.16 44.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 9.9 p -152.73 138.26 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.451 ' CD1' ' HA ' ' A' ' 94' ' ' ASP . 3.1 mm? -103.75 138.55 40.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 97.8 t -121.41 122.18 66.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.178 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -81.58 112.36 18.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.084 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.422 ' CD1' HG21 ' A' ' 88' ' ' VAL . 2.5 mt -89.51 20.57 3.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.933 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -83.65 10.94 8.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.09 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.2 m -71.59 166.95 20.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -108.06 -3.83 18.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -106.66 47.98 0.86 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 14.4 mt -89.56 -52.8 4.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -37.17 -36.32 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 35.7 mttp -81.84 -45.85 14.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 90.22 154.8 30.35 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 26.9 p90 -146.37 156.3 43.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.837 0.351 . . . . 0.0 110.943 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 86.4 m -128.11 127.92 43.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.146 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -161.6 167.27 25.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' TRP . . . . . 0.525 ' NE1' ' NE2' ' A' ' 14' ' ' GLN . 84.0 m95 -98.4 123.12 42.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.956 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -96.1 103.65 15.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.921 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -64.41 117.18 6.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 55.0 mt -64.61 153.85 38.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' THR . . . . . 0.413 ' HA ' ' CD1' ' A' ' 10' ' ' LEU . 72.7 p -140.47 177.37 8.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -75.59 164.96 25.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -63.81 175.32 1.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.831 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 14.6 m -44.25 152.36 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.817 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -44.55 146.98 1.56 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.49 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -34.36 14.73 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.711 2.274 . . . . 0.0 112.33 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 70.4 p -57.99 159.43 5.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 22.8 t -101.39 126.3 48.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.482 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.456 -0.257 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.7 p -45.2 116.25 1.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.873 0.368 . . . . 0.0 110.868 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.8 m -81.77 -43.8 17.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.67 -151.72 51.79 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.536 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 t -127.26 158.72 36.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.886 0.374 . . . . 0.0 110.862 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -134.2 105.3 6.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.84 69.9 0.18 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.464 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 87.0 p -107.44 83.1 1.41 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.645 0.736 . . . . 0.0 110.834 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -21.62 33.36 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.688 2.259 . . . . 0.0 112.335 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 92.4 mt -92.1 -28.31 17.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.944 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 127.83 172.42 13.22 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -125.56 174.85 7.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.756 0.312 . . . . 0.0 110.927 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 7.0 tt -167.95 130.51 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.135 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -101.74 129.61 47.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.945 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.454 ' CD1' HG22 ' A' ' 95' ' ' VAL . 42.1 mt -134.63 123.81 24.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.6 m -87.84 103.57 15.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 33.5 mt -98.28 120.11 47.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 35.8 ttt180 -149.16 108.71 3.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 25.5 t-80 -102.65 113.83 27.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.2 t -79.81 127.65 32.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 77.5 p -69.73 -45.56 67.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -60.32 -50.24 74.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 34.9 mtt180 -77.77 -28.79 50.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 60.69 51.0 5.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -134.45 155.12 50.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 37.1 tp -109.5 106.32 16.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.3 mp -100.62 133.11 44.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.121 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.2 t -134.28 111.81 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.2 t -96.8 124.76 49.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.152 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 62.7 t -100.89 85.28 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.136 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -48.55 -75.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -174.15 160.72 3.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 87.1 m -109.45 158.38 18.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -146.5 162.57 38.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 59.19 42.91 17.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 66.2 mt -96.18 88.58 4.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.6 pp -42.93 149.19 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.117 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -111.87 112.74 24.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.166 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -42.46 -32.63 0.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 41' ' ' GLU . 8.8 t -142.41 116.81 9.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 42' ' ' ASP . 7.7 tp10 -35.76 -44.58 0.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 41' ' ' GLU . 0.6 OUTLIER -35.29 -49.49 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 148.19 149.79 5.05 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.499 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.2 p -132.33 166.01 22.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.904 0.383 . . . . 0.0 110.861 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -115.02 81.82 8.04 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.574 0.702 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 139.78 40.88 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.697 2.265 . . . . 0.0 112.359 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.522 ' CD1' ' HB2' ' A' ' 100' ' ' SER . 33.7 p90 -150.39 136.98 18.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.567 HG23 ' CE1' ' A' ' 75' ' ' PHE . 44.0 t -87.2 136.76 22.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.15 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.521 ' HD2' ' CE1' ' A' ' 51' ' ' TYR . 36.2 ttp180 -121.93 144.46 48.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.817 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.554 ' HE1' ' CD1' ' A' ' 79' ' ' PHE . 42.8 mtm -129.37 125.65 37.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.57 ' CE1' ' HB2' ' A' ' 61' ' ' ARG . 3.8 m-85 -128.15 133.52 48.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.5 tp -89.94 91.5 8.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.521 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 2.1 mm? -79.46 154.06 76.44 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.592 0.711 . . . . 0.0 110.931 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.8 Cg_endo -69.77 -29.42 5.72 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.694 -1.794 . . . . 0.0 112.334 -0.079 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 54' ' ' PRO . 11.0 m-20 -33.86 103.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.869 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.4 mtpt -121.38 55.85 1.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 59' ' ' SER . 27.3 mmt180 -72.99 -4.64 33.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 57' ' ' ARG . 0.1 OUTLIER 34.05 35.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.843 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 57' ' ' ARG . 40.9 m -111.81 -70.03 0.83 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.825 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -85.89 30.83 4.15 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.475 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.57 ' HB2' ' CE1' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -48.56 139.19 9.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.786 0.327 . . . . 0.0 110.881 -179.849 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -110.36 124.44 51.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.2 pttm -144.0 169.79 17.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 68.2 p -98.13 174.22 6.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -58.46 156.09 10.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 67.4 t -99.22 104.65 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.185 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 33.8 m -78.83 145.45 34.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.4 mttt -121.71 158.32 29.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 23.4 mmtm 48.27 50.05 16.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.9 t -165.19 139.79 5.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 53.9 mt -96.32 -30.69 13.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 -110.11 81.66 2.25 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.604 0.716 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 139.66 40.92 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.731 2.287 . . . . 0.0 112.361 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.3 t -120.67 105.66 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.136 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.567 ' CE1' HG23 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -96.37 -51.08 4.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.3 t70 54.2 29.29 10.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -92.43 159.65 15.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.852 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.9 t -128.96 123.01 31.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.554 ' CD1' ' HE1' ' A' ' 50' ' ' MET . 25.1 m-85 -105.33 175.03 5.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -154.56 153.41 31.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -150.65 117.59 5.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 35.4 p -68.02 91.79 0.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.1 p -143.69 134.89 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.125 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.45 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 1.2 m -73.85 147.02 43.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.597 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 4.2 tp -51.39 -45.19 90.08 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.566 0.698 . . . . 0.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 65.1 Cg_exo -47.96 -39.45 32.53 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.694 2.263 . . . . 0.0 112.302 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -81.84 -58.86 2.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 1.4 p -51.0 -25.57 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.133 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.416 ' HG3' ' CD1' ' A' ' 85' ' ' LEU . 54.4 mt-30 -59.94 -47.16 86.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.0 ptp180 -81.77 -14.53 56.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 86.1 mtt-85 -82.36 177.99 8.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.0 m -146.28 143.08 28.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.3 tp -93.36 94.92 9.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.855 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.437 ' HB2' ' CD2' ' A' ' 53' ' ' LEU . 67.3 t0 -76.27 101.64 5.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.845 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.454 HG22 ' CD1' ' A' ' 15' ' ' LEU . 5.2 t -106.36 118.27 53.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.141 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -135.83 125.42 25.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 38.8 t -103.91 108.78 25.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.093 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.438 ' N ' ' HD3' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -126.36 -178.71 4.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.896 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -106.63 126.96 52.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.522 ' HB2' ' CD1' ' A' ' 47' ' ' TYR . 4.2 t -88.83 171.76 9.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 171.16 -63.31 0.16 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.467 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -92.37 110.25 3.88 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.48 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -59.1 -56.4 22.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.891 0.376 . . . . 0.0 110.894 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.8 88.57 5.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.94 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 77.4 p -168.92 -179.25 3.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.0 ptpp? -105.63 92.6 4.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.45 106.98 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -118.81 -35.68 3.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -62.63 92.37 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.49 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.43 HD12 ' CG ' ' A' ' 98' ' ' LYS . 8.8 tp -98.85 124.0 43.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.835 0.35 . . . . 0.0 110.877 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 90.4 mt -83.32 -44.74 14.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -176.83 147.52 8.46 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.503 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.421 ' CA ' HD23 ' A' ' 133' ' ' LEU . 17.4 ptmt -146.24 152.1 38.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 0.0 110.87 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 7.8 p -144.81 127.64 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -89.67 153.37 20.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 54.6 t -136.87 132.0 47.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -91.88 116.14 28.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 6.6 mt -93.62 22.86 5.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -90.82 25.32 2.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.9 m -87.78 -179.32 6.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -118.88 -10.23 9.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -97.88 47.55 1.01 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 124' ' ' ALA . 15.2 mt -91.8 -57.5 2.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 123' ' ' LEU . . . -34.06 -36.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.068 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 123' ' ' LEU . 0.1 OUTLIER -80.53 -50.19 10.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.899 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 96.99 150.55 26.96 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.492 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 23.5 p90 -143.81 165.05 28.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.848 0.356 . . . . 0.0 110.944 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 85.3 m -139.92 123.99 17.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.145 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.581 ' CD ' ' CE1' ' A' ' 131' ' ' TYR . 8.4 pt20 -151.46 157.63 42.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' TRP . . . . . . . . . . . . . 62.9 m95 -92.01 110.85 22.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.933 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 0.581 ' CE1' ' CD ' ' A' ' 129' ' ' GLN . 49.4 m-85 -88.62 106.58 18.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.926 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 30.0 p-10 -67.49 118.36 10.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.421 HD23 ' CA ' ' A' ' 113' ' ' LYS . 18.0 mt -62.61 133.83 55.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 58.6 p -122.68 176.59 5.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -71.4 163.27 28.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -63.45 -49.26 74.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 17.7 m -69.17 -49.8 53.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.816 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 119.85 -94.47 0.57 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.499 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -179.47 2.93 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.742 2.295 . . . . 0.0 112.353 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 40.7 t -103.66 -58.35 1.89 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 40.8 t -87.5 -57.65 2.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.825 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.476 -179.96 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -129.13 82.82 2.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.936 0.398 . . . . 0.0 110.886 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 4' ' ' GLY . 64.7 m -47.92 120.15 3.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.889 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -37.3 137.98 0.57 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.488 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.4 t -65.53 -50.63 64.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.908 0.385 . . . . 0.0 110.906 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t 50.86 51.94 15.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.887 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.61 146.75 0.52 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.458 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.1 m -106.4 88.06 3.04 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.706 0.765 . . . . 0.0 110.832 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -23.49 30.73 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.704 2.27 . . . . 0.0 112.332 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.5 mt -87.0 -47.67 8.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 143.4 170.84 13.36 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.497 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -132.14 169.82 15.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.815 0.341 . . . . 0.0 110.918 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 7.2 tt -155.37 139.75 9.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.433 ' HB2' ' CE2' ' A' ' 130' ' ' TRP . 20.9 tt0 -103.61 124.94 49.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.956 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 73.7 mt -136.28 133.08 36.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.963 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.1 m -101.07 103.39 14.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.137 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 23.1 mt -99.48 122.8 51.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -153.83 110.99 3.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 24.1 t-80 -100.27 114.57 28.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.4 t -76.62 123.77 26.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.831 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.8 p -76.44 -11.25 59.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -94.36 -30.85 14.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.951 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -100.77 -25.28 14.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.3 m120 64.01 50.35 2.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -136.36 153.18 51.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.959 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 39.7 tp -110.22 106.37 15.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.436 HD12 ' N ' ' A' ' 27' ' ' ILE . 5.0 mp -97.59 137.11 26.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.4 t -140.44 113.49 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.096 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.418 HG12 ' N ' ' A' ' 30' ' ' VAL . 48.3 t -96.45 140.05 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.418 ' N ' HG12 ' A' ' 29' ' ' VAL . 13.8 t -120.99 87.88 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -54.64 -73.45 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -174.71 158.62 2.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 96.7 m -105.91 152.57 23.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 33.1 ptt85 -140.02 164.56 29.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 65.6 m-20 59.06 39.98 22.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.2 mt -95.56 95.66 8.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.6 pp -56.92 133.17 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -96.73 119.02 34.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -43.72 -33.32 1.21 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 38.7 t -138.96 122.44 17.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 42' ' ' ASP . 19.1 mt-10 -44.37 -40.53 5.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 41' ' ' GLU . 34.0 m-20 -36.39 -50.66 0.77 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 151.75 139.48 2.97 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.506 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.9 m -122.56 164.66 17.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.823 0.344 . . . . 0.0 110.895 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.409 ' HB3' ' CG1' ' A' ' 66' ' ' VAL . 1.2 m-20 -119.96 82.63 28.94 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.632 0.73 . . . . 0.0 110.894 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 138.39 37.78 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.667 2.245 . . . . 0.0 112.381 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.461 ' CE2' ' HG3' ' A' ' 49' ' ' ARG . 23.6 p90 -147.93 134.33 19.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.969 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.5 t -95.39 130.04 44.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.134 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.461 ' HG3' ' CE2' ' A' ' 47' ' ' TYR . 31.3 mtm180 -120.7 136.88 54.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.538 ' HE2' ' CD1' ' A' ' 79' ' ' PHE . 60.3 mtm -118.56 130.68 56.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.855 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.416 ' CZ ' ' HB2' ' A' ' 61' ' ' ARG . 42.0 m-85 -135.56 114.48 12.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.7 tp -72.7 80.77 1.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.939 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.534 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 83.8 mt -61.31 152.14 73.88 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.643 0.735 . . . . 0.0 110.88 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 54.0 Cg_endo -69.76 -45.1 0.44 Allowed 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.669 -1.805 . . . . 0.0 112.34 -0.15 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.37 97.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.473 ' HE3' ' CD2' ' A' ' 53' ' ' LEU . 6.7 ptpp? -119.94 33.48 5.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -42.92 120.53 1.8 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -68.53 -33.77 74.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 t -50.44 -46.7 56.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -108.81 30.7 8.45 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.487 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.416 ' HB2' ' CZ ' ' A' ' 51' ' ' TYR . 15.3 ptt-85 -54.57 161.35 1.49 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.813 0.339 . . . . 0.0 110.894 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -132.32 115.7 15.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.45 ' CB ' ' HG2' ' A' ' 49' ' ' ARG . 8.5 ptmm? -144.24 170.92 15.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 29.3 p -103.83 166.29 10.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.213 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 15.3 t60 -52.66 160.21 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.887 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.409 ' CG1' ' HB3' ' A' ' 45' ' ' ASP . 46.6 t -104.56 99.95 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.087 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 73.5 m -71.94 137.58 47.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 56.9 mttt -117.05 147.42 42.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.456 ' N ' ' HD3' ' A' ' 69' ' ' LYS . 0.0 OUTLIER 61.42 52.46 3.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.831 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.6 t -169.73 138.05 1.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.168 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 89.3 mt -94.93 -22.83 17.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.934 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -113.02 78.72 3.15 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.63 0.728 . . . . 0.0 110.868 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 130.93 20.24 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.679 2.253 . . . . 0.0 112.342 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 4.8 p -127.16 121.12 57.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.101 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -112.78 -25.05 9.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 43.5 t0 41.91 33.75 0.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -95.79 160.0 14.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.3 t -131.03 122.9 27.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.538 ' CD1' ' HE2' ' A' ' 50' ' ' MET . 3.9 m-85 -103.56 169.32 8.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -153.19 147.17 25.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -142.84 120.69 11.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 36.6 p -68.42 90.08 0.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 6.9 p -143.84 132.07 18.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.109 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.435 ' C ' ' HD2' ' A' ' 86' ' ' PRO . 1.3 m -73.67 144.69 45.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.593 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 4.5 tp -51.73 -44.83 91.45 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.604 0.716 . . . . 0.0 110.931 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 65.1 Cg_exo -47.95 -31.76 16.43 Favored 'Trans proline' 0 N--CA 1.466 -0.138 0 C-N-CA 122.687 2.258 . . . . 0.0 112.363 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -93.27 -54.59 3.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 1.7 p -50.28 -36.7 13.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.474 ' HG3' ' CD1' ' A' ' 85' ' ' LEU . 27.5 mt-30 -47.3 -42.83 21.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.947 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -78.92 -32.78 45.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -66.18 -178.1 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.2 m -152.92 137.56 16.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.7 tp -83.14 107.45 15.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.969 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.406 ' OD1' ' C ' ' A' ' 94' ' ' ASP . 47.4 t0 -84.26 98.52 10.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 5.7 t -107.8 111.27 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.158 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -131.25 122.23 26.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.127 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 26.6 t -106.69 114.81 46.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.142 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.459 ' N ' ' HD3' ' A' ' 98' ' ' LYS . 0.1 OUTLIER -144.44 173.34 11.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.911 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 99' ' ' ASN . 0.8 OUTLIER -97.08 127.8 43.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.6 t -47.34 107.78 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.821 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -63.83 -106.55 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.462 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -165.71 -76.61 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.519 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -148.71 177.23 9.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.955 0.407 . . . . 0.0 110.847 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -41.87 -33.73 0.57 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 38.7 t -40.79 -40.11 1.26 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 21.6 mtpt -141.6 153.57 44.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.872 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.7 -175.55 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 109' ' ' GLY . 26.9 mtmm -86.59 19.84 2.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.953 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 108' ' ' LYS . . . 35.37 69.53 0.21 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.476 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 21.8 tp -61.19 116.4 4.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.81 0.338 . . . . 0.0 110.937 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 13.8 mt -86.49 -45.21 11.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -171.77 130.48 1.95 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.46 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt -131.68 153.76 49.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.816 0.341 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 13.5 p -147.37 132.45 11.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -95.87 154.71 17.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 88.0 t -138.44 117.03 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -80.96 112.32 18.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.144 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 9.4 mt -84.85 24.48 1.05 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -88.05 23.26 2.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.106 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 41.1 t -98.02 163.83 12.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 31.6 mp0 -97.15 -24.11 15.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -56.12 -21.22 21.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.9 mt -44.05 -46.12 8.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -40.79 -41.03 1.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 10.6 mtmm -91.04 -56.74 3.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 112.92 151.5 11.06 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 17.7 p90 -148.95 164.17 35.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.823 0.344 . . . . 0.0 110.944 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 85.3 m -142.91 127.63 18.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.184 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -157.48 159.04 36.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.927 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' TRP . . . . . 0.433 ' CE2' ' HB2' ' A' ' 14' ' ' GLN . 84.0 m95 -86.28 105.28 16.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -76.55 101.59 5.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -56.23 118.49 4.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 67.5 mt -67.73 134.22 50.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 72.2 p -120.57 172.53 7.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.164 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -73.68 162.8 28.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.928 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -65.03 -48.55 73.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 11.6 t -74.18 119.94 19.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.82 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -119.18 -159.07 10.89 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 160.1 50.94 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.722 2.281 . . . . 0.0 112.35 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 11.2 t -85.03 145.16 27.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 65.8 m -73.67 -56.44 5.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.481 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.367 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 1' ' ' GLY . 18.6 m 34.85 51.31 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.881 0.372 . . . . 0.0 110.829 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 t -126.5 81.77 2.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.28 -50.76 9.53 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.516 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.1 p -124.27 126.76 46.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.87 0.367 . . . . 0.0 110.872 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.0 m -76.98 169.05 19.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.92 114.86 0.18 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.536 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.5 p -107.47 88.66 4.28 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.615 0.722 . . . . 0.0 110.868 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -18.07 37.16 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.692 2.262 . . . . 0.0 112.373 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 95.5 mt -96.45 -43.94 7.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 153.78 176.12 25.83 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.473 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -130.36 170.68 13.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.769 0.318 . . . . 0.0 110.906 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 18.2 tt -162.68 136.76 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -107.72 110.01 21.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 45.5 mt -122.99 135.57 54.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.4 m -102.92 108.27 19.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.154 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.45 ' CD1' HG13 ' A' ' 116' ' ' VAL . 20.6 mt -102.41 115.85 45.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.13 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 -148.47 115.76 6.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -97.51 112.73 24.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 24' ' ' ASN . 30.7 t -74.21 126.35 30.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 61.3 p -71.88 -43.71 64.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -66.04 -38.65 88.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.7 mtt-85 -91.88 -20.6 21.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 20' ' ' SER . 11.6 m120 51.81 51.69 16.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 47.4 mttt -137.28 150.88 48.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.6 tp -99.23 110.29 22.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.867 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.0 mp -101.54 130.95 50.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.19 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 48.9 t -134.34 112.37 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.2 t -94.15 141.22 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.3 t -118.21 77.72 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.172 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -42.73 -74.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -175.03 161.35 2.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 85.4 m -109.17 164.79 12.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.847 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -163.72 151.84 13.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.0 m120 71.62 51.43 0.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 36.0 mt -102.4 86.7 2.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.1 pp -38.74 132.47 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.49 142.21 28.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.086 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -53.03 -44.44 67.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.3 t -134.97 35.19 3.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 39.68 32.7 0.1 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -111.99 -35.92 5.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 146.08 114.54 0.87 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.502 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.4 m -115.12 165.78 12.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.849 0.357 . . . . 0.0 110.877 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.42 86.7 3.61 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.602 0.715 . . . . 0.0 110.836 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 142.17 47.09 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.653 2.235 . . . . 0.0 112.336 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 9.5 p90 -159.96 133.66 7.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 40.0 t -92.32 146.03 6.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 -137.49 138.75 40.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 59.9 mtm -116.08 140.61 49.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.448 ' CZ ' ' HG3' ' A' ' 61' ' ' ARG . 17.0 m-85 -145.55 113.62 6.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.4 tp -72.16 88.38 1.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.519 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 3.7 mm? -63.88 156.12 74.58 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.621 0.724 . . . . 0.0 110.889 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.519 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 54.0 Cg_endo -69.73 -35.15 2.8 Favored 'Cis proline' 0 C--N 1.342 0.212 0 C-N-CA 122.632 -1.82 . . . . 0.0 112.38 -0.213 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -42.76 131.08 4.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt -132.6 25.37 4.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.428 ' NH1' ' HB2' ' A' ' 57' ' ' ARG . 25.5 mtm105 -49.98 134.42 21.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 37.4 ttp180 -73.63 -43.78 58.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.2 t -40.43 -60.51 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -87.78 49.52 3.85 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.513 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.448 ' HG3' ' CZ ' ' A' ' 51' ' ' TYR . 17.1 ttt180 -100.63 121.26 41.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.791 0.329 . . . . 0.0 110.911 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.458 ' HB3' ' CD2' ' A' ' 79' ' ' PHE . 23.6 mmt85 -107.96 125.9 52.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -140.92 167.82 21.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.403 ' HB ' ' CG ' ' A' ' 75' ' ' PHE . 68.0 p -98.77 167.15 10.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.195 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -53.46 157.55 2.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.904 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 20.8 t -110.29 102.64 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.6 m -78.14 153.27 32.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.8 mtpt -122.99 146.03 47.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.65 53.58 8.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.3 t -163.71 137.46 5.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.109 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.3 mp -92.58 -26.88 17.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -122.13 85.15 46.23 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.614 0.721 . . . . 0.0 110.91 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -175.03 1.03 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.712 2.274 . . . . 0.0 112.359 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.4 t -156.74 126.0 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.14 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.403 ' CG ' ' HB ' ' A' ' 64' ' ' THR . 11.7 m-85 -125.08 -50.68 1.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.889 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.8 t70 57.66 32.22 21.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -96.33 154.56 17.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.3 t -131.01 117.22 18.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.458 ' CD2' ' HB3' ' A' ' 62' ' ' ARG . 5.7 m-85 -101.84 167.76 9.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.868 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -149.33 156.23 41.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -145.54 124.62 12.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 62.9 p -70.31 91.03 0.72 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.7 p -143.44 141.82 25.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.109 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.463 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 1.6 m -80.83 147.7 30.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.607 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 8.0 tp -52.73 -44.53 95.82 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.637 0.732 . . . . 0.0 110.936 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.607 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 64.6 Cg_exo -47.95 -38.6 31.48 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.693 2.262 . . . . 0.0 112.344 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -84.4 -57.03 3.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -49.78 -27.23 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.43 ' HG3' ' CD1' ' A' ' 85' ' ' LEU . 62.7 mt-30 -59.14 -49.74 76.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 25.1 mtp85 -78.75 -4.72 50.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 60.8 mtt-85 -97.44 171.2 8.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.432 HG21 ' N ' ' A' ' 93' ' ' LEU . 32.6 m -139.4 150.06 44.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.132 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.432 ' N ' HG21 ' A' ' 92' ' ' THR . 4.6 tp -94.31 100.03 12.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.474 ' CB ' ' CD2' ' A' ' 53' ' ' LEU . 0.5 OUTLIER -76.07 99.9 4.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.815 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 6.1 t -111.05 113.47 44.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -135.81 126.81 27.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 67.7 t -100.69 100.23 9.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.146 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.27 -176.47 3.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.474 ' O ' ' N ' ' A' ' 101' ' ' GLY . 14.4 p-10 -113.22 108.0 16.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.3 t -57.7 81.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.838 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 99' ' ' ASN . . . -175.8 80.26 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -103.47 -171.29 25.79 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.465 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -139.47 178.92 6.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.895 0.378 . . . . 0.0 110.876 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -75.75 58.09 1.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 57.9 m -166.17 177.89 6.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp -81.06 95.8 6.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -141.52 142.57 33.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 109' ' ' GLY . 0.0 OUTLIER -118.58 -28.56 5.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 108' ' ' LYS . . . 35.36 44.14 0.57 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.491 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 21.9 tp -64.13 118.22 8.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.831 0.348 . . . . 0.0 110.924 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 35.4 mt -78.56 -39.79 36.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.95 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 175.57 149.77 7.58 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.504 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 7.5 pttt -152.97 158.81 42.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.791 0.329 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.427 HG21 ' N ' ' A' ' 115' ' ' LEU . 7.7 p -149.75 141.42 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.131 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.427 ' N ' HG21 ' A' ' 114' ' ' VAL . 3.8 mm? -103.97 144.65 31.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.45 HG13 ' CD1' ' A' ' 17' ' ' ILE . 87.5 t -130.13 122.98 55.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.114 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -81.76 113.05 19.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 18.4 mt -88.49 20.46 3.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -83.43 16.07 2.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.089 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.9 m -94.42 157.31 16.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -91.74 -27.43 18.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -50.91 -18.29 0.74 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 14.0 mt -48.71 -31.38 6.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -52.27 -35.93 51.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.079 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 31.4 mtpt -98.91 -48.38 4.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 105.4 154.53 21.93 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.482 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 16.8 p90 -146.58 155.8 42.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.85 0.357 . . . . 0.0 110.912 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 91.6 m -131.22 131.28 43.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -160.77 162.85 32.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.958 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' TRP . . . . . . . . . . . . . 75.9 m95 -92.47 105.57 17.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -74.58 103.46 4.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.937 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -63.0 116.58 5.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 38.3 mt -62.69 138.47 58.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 25.4 p -130.56 -177.07 4.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -77.31 159.33 29.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.92 177.15 2.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.817 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 46.3 t -149.75 113.69 5.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.824 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 173.03 82.71 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.471 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -20.44 35.02 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.696 2.264 . . . . 0.0 112.336 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 22.6 t -48.53 138.05 10.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 43.1 t -120.88 92.65 3.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.511 -179.966 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.2 t -128.24 84.23 2.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.891 0.377 . . . . 0.0 110.881 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.9 m -118.63 154.45 32.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.839 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.73 76.52 1.07 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.482 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.2 m -95.73 172.09 8.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.874 0.368 . . . . 0.0 110.86 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.6 m -159.52 169.77 23.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.87 145.58 41.87 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.534 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.2 t -88.92 108.09 21.54 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.65 0.738 . . . . 0.0 110.825 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -24.28 29.79 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.649 2.232 . . . . 0.0 112.373 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.4 mt -79.74 -44.66 20.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 143.81 -157.02 26.92 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.479 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -154.7 166.61 32.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 0.0 110.947 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 9.9 tt -148.87 128.95 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.425 ' HB2' ' CE2' ' A' ' 130' ' ' TRP . 28.0 tt0 -99.08 115.12 28.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.2 mt -134.5 156.58 48.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 98.1 m -115.71 105.53 12.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 22.8 mt -98.75 116.02 40.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.095 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -148.38 116.67 6.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 -98.26 113.08 24.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 24' ' ' ASN . 25.2 t -78.69 126.53 30.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 26.6 p -70.17 -46.65 64.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -59.96 -48.54 81.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.7 -27.78 33.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 20' ' ' SER . 7.1 m120 58.89 47.67 12.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.5 mttm -133.44 155.98 48.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.1 tp -106.37 106.03 16.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.4 mp -95.68 121.86 46.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.132 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 38.6 t -123.84 111.11 27.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.5 t -95.07 146.39 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.7 t -126.17 96.08 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -65.3 -72.54 0.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -174.31 157.2 2.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 27.0 m -106.92 152.29 24.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.569 ' HD3' ' CH2' ' A' ' 130' ' ' TRP . 20.7 ptt85 -142.02 159.3 42.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.847 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 62.1 46.59 6.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 29.7 mt -101.88 96.34 6.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.47 ' O ' ' CD1' ' A' ' 37' ' ' ILE . 2.8 pp -59.27 125.95 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.61 124.5 34.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.115 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -47.24 -32.39 4.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 41' ' ' GLU . 28.7 m -136.3 114.22 11.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.825 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 40' ' ' SER . 28.0 mt-10 -37.5 -42.9 0.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.922 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 41' ' ' GLU . 19.1 t0 -36.74 -46.65 0.62 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.832 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 150.74 144.6 3.95 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 51.3 p -131.54 153.67 49.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.874 0.369 . . . . 0.0 110.861 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.08 82.9 1.61 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.611 0.72 . . . . 0.0 110.855 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 141.31 44.72 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.664 2.242 . . . . 0.0 112.347 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 12.8 p90 -151.24 139.1 19.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 50.6 t -85.2 146.02 7.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.158 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.3 ttt180 -127.11 133.28 50.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.553 ' HE2' ' CD1' ' A' ' 79' ' ' PHE . 60.2 mtm -125.24 129.13 49.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -140.33 138.74 35.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.3 tp -93.26 87.96 5.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.977 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.522 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 2.5 mm? -66.98 154.62 92.03 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.579 0.704 . . . . 0.0 110.915 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.9 Cg_endo -69.78 -38.98 1.44 Allowed 'Cis proline' 0 C--N 1.341 0.153 0 C-N-CA 122.672 -1.804 . . . . 0.0 112.376 -0.129 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -39.18 133.62 1.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 57' ' ' ARG . 12.1 mttm -131.55 30.51 4.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 56' ' ' LYS . 36.7 mtt180 -36.06 118.71 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.869 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -18.56 65.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.5 m -82.56 -39.06 22.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -81.64 13.07 37.52 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.4 ttp180 -60.75 109.03 0.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 0.0 110.861 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -110.88 124.59 52.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -146.19 171.31 15.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 74.0 p -96.19 166.35 11.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -51.37 160.62 0.55 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 26.1 t -109.48 104.62 17.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.7 t -79.41 140.35 37.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.81 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 35.0 mttp -117.5 156.27 28.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.883 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.8 mmmt 56.19 45.85 22.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.6 t -161.64 146.62 13.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.158 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 70.5 mt -99.5 -34.6 10.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 18.3 p-10 -109.82 81.17 1.9 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.612 0.72 . . . . 0.0 110.899 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 142.85 49.03 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.731 2.287 . . . . 0.0 112.35 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.7 t -126.74 122.15 60.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -110.88 -62.63 1.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.9 t0 74.27 28.62 1.36 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -96.2 156.12 16.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 44.4 t -130.14 125.03 34.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.553 ' CD1' ' HE2' ' A' ' 50' ' ' MET . 2.2 m-85 -112.25 163.23 14.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -146.33 149.62 34.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -138.33 129.56 27.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 78.4 p -73.41 92.74 1.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.811 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.7 p -143.68 133.68 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.465 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 1.2 m -74.96 147.65 40.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.609 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 4.2 tp -52.86 -44.54 96.51 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.616 0.722 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 64.9 Cg_exo -48.02 -34.44 23.08 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.644 2.229 . . . . 0.0 112.357 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -90.48 -53.95 4.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -49.32 -31.84 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.185 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -55.47 -54.99 37.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.969 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.478 ' CZ ' ' HB2' ' A' ' 90' ' ' ARG . 15.5 mtm105 -71.95 -26.02 62.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -78.24 168.44 19.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.9 m -135.6 151.22 50.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.145 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.4 tp -94.56 101.01 12.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.439 ' CB ' HD22 ' A' ' 53' ' ' LEU . 0.9 OUTLIER -74.71 99.91 3.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 179.848 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 32.5 t -112.63 101.44 12.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.158 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -125.61 127.12 45.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 84.1 t -97.06 98.77 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.107 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -113.11 172.62 6.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -109.9 130.74 55.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.3 t -78.35 -50.1 12.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.849 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 80.49 -62.63 4.3 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.498 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 62.17 -121.28 25.04 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.459 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 45.32 53.18 8.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.904 0.383 . . . . 0.0 110.888 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 6.0 mt 59.16 49.54 9.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.92 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 56.4 m -167.06 176.78 6.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.85 148.3 32.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -167.41 148.98 5.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 109' ' ' GLY . 6.6 mptt -114.01 15.37 18.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 108' ' ' LYS . . . -34.72 101.05 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.49 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 27.8 tp -78.62 106.67 10.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.825 0.345 . . . . 0.0 110.955 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 27.4 mt -79.81 -33.14 40.66 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 175.76 141.22 3.71 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.465 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.3 ptmm? -137.76 152.94 49.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.811 0.338 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 7.2 p -148.13 126.4 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.16 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.421 ' N ' HD22 ' A' ' 115' ' ' LEU . 3.9 mm? -96.0 146.61 24.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 78.3 t -129.52 108.72 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.23 107.54 1.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.12 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 9.2 mt -82.33 17.37 1.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -85.54 15.56 4.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.5 t -91.97 151.9 20.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.857 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -82.4 -23.57 34.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -56.26 -14.38 2.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 30.9 mt -58.56 -24.4 60.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -62.3 -25.22 67.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.09 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 52.7 mttm -107.9 -52.83 2.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 111.44 140.57 8.25 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.544 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 20.1 p90 -137.57 158.03 45.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.853 0.359 . . . . 0.0 110.899 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 89.0 m -138.79 129.36 26.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.514 ' OE1' ' N ' ' A' ' 130' ' ' TRP . 0.1 OUTLIER -162.15 162.78 28.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.943 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' TRP . . . . . 0.569 ' CH2' ' HD3' ' A' ' 34' ' ' ARG . 78.1 m95 -81.42 100.9 9.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 0.44 ' CE1' ' HG3' ' A' ' 129' ' ' GLN . 20.4 m-85 -72.8 103.28 3.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -60.76 131.64 51.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.847 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 95.0 mt -80.32 157.91 26.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 4.7 p -145.91 170.61 16.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -75.82 165.45 24.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -54.45 120.77 7.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 6.9 t -129.27 107.67 9.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -160.47 82.67 0.13 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.474 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -23.01 31.22 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.685 2.257 . . . . 0.0 112.342 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 61.1 m -129.75 166.45 19.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 25.9 t -112.26 -47.57 3.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 179.992 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.0 m -54.78 155.17 4.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.882 0.372 . . . . 0.0 110.876 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.7 m -50.12 100.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.849 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.19 63.97 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.482 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.9 m -50.37 146.4 5.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.923 0.392 . . . . 0.0 110.839 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.5 m -119.28 -54.54 2.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.87 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.99 109.4 2.88 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.523 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 45.6 p -115.9 81.58 9.9 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.678 0.751 . . . . 0.0 110.873 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -33.67 16.05 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.676 2.251 . . . . 0.0 112.328 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.465 ' CD1' ' HA ' ' A' ' 134' ' ' THR . 15.3 mt -75.52 -51.28 13.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.894 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.479 ' CA ' ' O ' ' A' ' 35' ' ' ASN . . . 144.35 173.34 15.65 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.492 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -125.46 167.21 15.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.824 0.345 . . . . 0.0 110.876 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.3 tt -154.88 133.09 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.192 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -101.85 121.6 42.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.453 ' CD2' HG23 ' A' ' 30' ' ' VAL . 30.3 mt -135.2 129.6 33.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.2 m -96.64 105.22 17.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.121 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 15.1 mt -98.79 124.27 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.16 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -154.02 109.08 3.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.495 ' CE1' ' HB2' ' A' ' 85' ' ' LEU . 19.0 t-80 -97.7 103.69 15.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.7 t -66.96 131.2 45.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 89.4 p -82.11 -6.61 59.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 12.8 tp60 -96.56 -39.76 9.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -93.91 -10.74 32.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.867 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 50.3 43.7 26.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.3 mttm -129.26 160.11 34.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 21.5 tp -114.92 107.86 15.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.3 mp -98.56 137.98 24.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.126 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.2 t -139.57 108.75 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.093 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 19.3 t -92.53 131.09 40.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.131 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.453 HG23 ' CD2' ' A' ' 15' ' ' LEU . 71.0 t -111.05 86.04 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.141 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -52.21 -71.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -174.93 161.77 3.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.081 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 68.0 m -108.05 169.24 8.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.463 ' CZ ' ' HB3' ' A' ' 34' ' ' ARG . 4.0 ptp180 -152.47 170.67 19.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.479 ' O ' ' CA ' ' A' ' 11' ' ' GLY . 2.3 m-80 46.81 47.93 15.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.0 mt -102.84 89.92 3.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.946 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.6 pp -45.62 152.43 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -117.66 125.22 50.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.077 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -44.47 -32.57 1.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 41' ' ' GLU . 22.9 t -144.05 125.92 15.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 42' ' ' ASP . 21.6 tt0 -37.62 -45.58 0.78 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 41' ' ' GLU . 88.0 m-20 -34.77 -50.07 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 143.37 145.31 4.39 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.457 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.8 m -122.87 166.99 14.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.894 0.378 . . . . 0.0 110.855 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.29 82.24 2.59 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.599 0.714 . . . . 0.0 110.844 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 142.85 48.9 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.666 2.244 . . . . 0.0 112.345 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -156.7 136.19 12.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 80.1 t -85.24 153.42 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.12 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 21.6 ttt180 -135.63 134.1 38.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 66.2 mtm -125.43 118.66 26.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.565 ' CE1' ' HB2' ' A' ' 61' ' ' ARG . 5.0 m-85 -131.28 113.73 14.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.9 tp -68.53 90.97 0.4 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.931 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.527 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 46.8 mt -69.84 151.71 96.24 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.605 0.716 . . . . 0.0 110.911 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 54.0 Cg_endo -69.79 -30.93 4.87 Favored 'Cis proline' 0 C--O 1.232 0.205 0 C-N-CA 122.664 -1.807 . . . . 0.0 112.339 -0.147 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 54' ' ' PRO . 3.1 t70 -35.55 108.76 0.07 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.872 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.4 mtpp -110.71 32.81 4.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -52.17 107.02 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.843 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 -79.37 -25.72 42.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.9 m -68.32 -30.34 69.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.859 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -113.78 23.36 13.31 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.533 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.565 ' HB2' ' CE1' ' A' ' 51' ' ' TYR . 5.8 ptt180 -48.2 155.03 0.52 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.843 0.354 . . . . 0.0 110.865 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 5.5 tpt85 -132.12 109.25 9.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.4 pttt -141.5 171.25 14.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 59.8 p -98.36 174.0 6.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.168 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -56.1 174.52 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.852 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 67.6 t -120.87 99.36 7.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 74.9 m -76.84 148.33 36.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -123.38 157.49 33.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.6 mptt 53.45 54.28 10.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.8 t -168.99 136.3 1.86 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.16 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 94.7 mt -91.51 -30.9 16.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.936 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -109.96 77.55 1.14 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.631 0.729 . . . . 0.0 110.941 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 147.28 62.28 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.7 2.267 . . . . 0.0 112.319 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.422 HG21 ' N ' ' A' ' 75' ' ' PHE . 3.5 p -140.1 133.62 35.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.092 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.422 ' N ' HG21 ' A' ' 74' ' ' VAL . 0.4 OUTLIER -124.56 -30.37 3.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.7 t70 46.71 36.74 3.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.841 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -97.74 157.66 15.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.4 t -126.73 119.57 27.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -100.38 170.05 8.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -147.95 150.17 33.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -145.94 126.39 14.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 57.6 p -72.01 92.19 1.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.819 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.3 p -143.49 133.55 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.477 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 1.8 m -75.78 147.89 38.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.605 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 0.3 OUTLIER -52.31 -44.66 94.02 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.641 0.734 . . . . 0.0 110.951 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 66.1 Cg_exo -47.99 -40.56 33.29 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.683 2.255 . . . . 0.0 112.333 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 89' ' ' GLN . 0.2 OUTLIER -80.83 -64.05 1.27 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.411 HG12 ' N ' ' A' ' 89' ' ' GLN . 1.8 p -40.56 -24.63 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.088 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.529 ' NE2' ' CD1' ' A' ' 85' ' ' LEU . 49.2 mt-30 -57.25 -44.68 84.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 -92.61 -23.98 18.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.403 ' HG3' ' HA ' ' A' ' 88' ' ' VAL . 13.3 mmp_? -59.34 167.04 1.99 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.9 m -136.66 130.46 32.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.168 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.4 tp -85.72 103.73 14.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -76.68 97.43 4.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.835 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 20.3 t -108.56 100.98 11.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -125.28 127.49 46.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.112 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 96.3 t -100.14 98.77 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -112.98 -177.27 3.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -110.18 137.5 47.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.2 t -84.04 137.89 33.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -96.95 -47.54 2.24 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 165.34 -75.61 0.15 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.444 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 17.5 p90 -132.3 36.3 3.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.935 0.398 . . . . 0.0 110.893 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -99.95 169.31 9.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 31.5 m -103.25 -55.51 2.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 14.0 mtpp -138.14 158.79 43.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -153.6 155.96 37.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 21.8 mtmt -87.06 19.04 3.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -97.54 49.44 1.46 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.515 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 15.3 tp -70.27 111.83 6.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.847 0.356 . . . . 0.0 110.955 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 76.0 mt -75.57 -45.72 36.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -173.7 149.73 11.25 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.502 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -154.77 154.66 33.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.769 0.318 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 5.6 p -152.74 122.95 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.141 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -88.19 146.63 25.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 59.5 t -133.22 129.3 56.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.13 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -90.78 114.54 26.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 10.0 mt -85.89 28.87 0.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -84.43 29.51 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.087 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 41.4 m -96.44 167.54 11.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -105.97 -17.86 14.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -92.98 47.09 1.25 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.46 HD23 ' CZ3' ' A' ' 127' ' ' TRP . 12.7 mt -88.99 -51.98 5.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -41.39 -44.35 2.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 10.6 mtmm -67.72 -42.08 82.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 87.91 151.2 21.56 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.498 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . 0.46 ' CZ3' HD23 ' A' ' 123' ' ' LEU . 18.5 p90 -148.66 154.66 39.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.866 0.365 . . . . 0.0 110.882 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 87.4 m -122.83 137.35 54.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -168.09 155.8 8.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' TRP . . . . . . . . . . . . . 82.5 m95 -92.63 111.19 22.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -83.78 106.65 15.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -61.47 124.79 21.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 48.2 mt -65.25 156.94 30.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' THR . . . . . 0.465 ' HA ' ' CD1' ' A' ' 10' ' ' LEU . 82.7 p -148.22 162.33 39.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.157 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -78.33 162.3 26.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.831 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -55.33 127.8 31.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.904 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 71.1 m -131.93 -45.1 0.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 70.04 165.22 5.04 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.474 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 113.1 3.26 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.691 2.261 . . . . 0.0 112.34 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 18.2 p -78.06 -34.59 50.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 22.8 t -120.17 162.41 19.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.473 -179.959 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -162.23 151.33 15.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.89 0.376 . . . . 0.0 110.864 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.9 p -153.63 164.65 37.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.21 122.92 0.76 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.47 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.1 p -174.35 173.34 3.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.879 0.371 . . . . 0.0 110.89 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.1 t -45.35 138.84 3.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.6 162.35 1.3 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.467 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 55.4 m -140.94 123.6 9.69 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.718 0.771 . . . . 0.0 110.862 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -20.09 35.29 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.742 2.295 . . . . 0.0 112.319 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.4 mt -100.45 -34.45 9.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 134.19 -166.47 24.08 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.472 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.7 mp0 -140.39 -177.62 5.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.727 0.298 . . . . 0.0 110.916 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.5 tt -168.55 127.91 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.493 ' HB2' ' CE2' ' A' ' 130' ' ' TRP . 12.7 tt0 -101.25 125.75 47.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.3 mt -136.43 130.18 32.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.0 m -93.41 108.48 20.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.173 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 52.8 mt -100.86 119.77 49.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -149.32 109.03 4.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 -100.65 107.57 19.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.876 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.3 t -73.15 143.71 47.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.821 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.9 p -83.48 -45.71 13.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.842 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.421 ' CD ' ' O ' ' A' ' 22' ' ' GLN . 1.5 tm0? -60.77 -23.45 65.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -108.08 -24.89 11.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.1 m120 57.16 35.9 26.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.4 mttt -119.6 152.14 37.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.7 tp -104.83 104.83 14.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.2 mp -95.55 133.45 36.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.101 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.6 t -135.29 113.74 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.1 t -98.02 127.33 50.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.9 t -101.04 85.58 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -48.3 -75.15 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -175.09 159.79 2.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.151 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.5 m -106.44 167.83 9.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.2 ptm85 -156.84 162.74 39.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 37.9 m-20 56.0 49.76 15.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 85.3 mt -97.95 86.69 3.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.0 pp -40.8 139.41 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.124 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.411 ' HB1' ' N ' ' A' ' 41' ' ' GLU . . . -97.4 129.52 44.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.109 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -38.87 -41.77 0.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.5 t -132.09 29.24 4.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.411 ' N ' ' HB1' ' A' ' 38' ' ' ALA . 17.5 mt-10 39.38 33.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -117.37 -38.11 3.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 151.77 108.57 0.39 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.482 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.4 m -112.44 177.81 4.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.9 0.381 . . . . 0.0 110.88 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 45' ' ' ASP . 0.1 OUTLIER -111.09 81.25 2.66 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.585 0.707 . . . . 0.0 110.902 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 137.95 36.8 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.717 2.278 . . . . 0.0 112.341 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.466 ' CB ' HG23 ' A' ' 66' ' ' VAL . 2.9 p90 -156.98 142.29 17.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.906 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 40.0 t -89.4 157.91 2.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.147 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -144.15 123.38 12.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.475 ' HE2' ' CG ' ' A' ' 79' ' ' PHE . 61.4 mtm -111.75 131.14 55.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -141.85 117.51 10.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.0 tp -68.92 91.25 0.46 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.913 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.532 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 58.3 mt -71.73 151.41 93.39 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.631 0.729 . . . . 0.0 110.877 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 54.5 Cg_endo -69.7 -37.21 2.06 Favored 'Cis proline' 0 C--N 1.342 0.218 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.399 -0.189 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.459 ' C ' ' O ' ' A' ' 54' ' ' PRO . 86.3 m-20 -33.47 106.29 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 57' ' ' ARG . 21.8 mttt -112.38 -0.1 15.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.442 ' HB2' ' CZ ' ' A' ' 57' ' ' ARG . 19.0 mtm105 -37.38 154.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 56.3 mtm180 -89.68 27.59 1.49 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.405 ' HB2' ' NH1' ' A' ' 57' ' ' ARG . 2.5 m -92.3 -56.4 3.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.839 -179.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -86.56 16.15 47.01 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.514 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 44.4 ttt180 -55.96 112.0 1.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.806 0.336 . . . . 0.0 110.864 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -133.31 135.31 44.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.7 ptpp? -141.71 171.3 14.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 70.4 p -96.24 173.13 7.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.196 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.47 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 9.3 m-70 -61.12 132.53 54.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.466 HG23 ' CB ' ' A' ' 47' ' ' TYR . 41.7 t -88.12 105.99 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 69.3 m -85.9 153.87 21.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.831 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.1 mttp -123.08 144.24 49.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.4 mptt 63.02 43.68 6.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.0 t -154.45 138.71 16.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.468 ' N ' HD13 ' A' ' 71' ' ' LEU . 2.0 mp -93.56 -36.29 12.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.947 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 35.9 p-10 -111.5 79.41 2.3 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.622 0.725 . . . . 0.0 110.888 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 75' ' ' PHE . 54.3 Cg_endo -69.73 145.06 56.17 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.675 2.25 . . . . 0.0 112.377 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.3 t -121.48 135.4 61.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.088 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 73' ' ' PRO . 7.9 m-85 -133.07 -37.59 0.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.0 t70 43.9 29.63 0.33 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -83.33 163.03 20.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.5 t -124.1 120.87 33.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.475 ' CG ' ' HE2' ' A' ' 50' ' ' MET . 1.9 m-85 -100.86 167.69 10.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -154.07 149.87 27.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -150.76 125.95 9.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 54.9 p -74.17 90.52 2.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.812 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.4 p -143.7 135.44 23.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.106 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.486 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 0.7 OUTLIER -75.24 149.02 38.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.855 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.611 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 7.5 tp -53.12 -44.29 96.79 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.619 0.723 . . . . 0.0 110.922 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 65.3 Cg_exo -48.07 -37.9 31.21 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.66 2.24 . . . . 0.0 112.342 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 89' ' ' GLN . 3.9 mp0 -81.71 -69.79 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.438 ' CG2' HD12 ' A' ' 118' ' ' LEU . 1.5 p -40.16 -27.33 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.089 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 87' ' ' GLU . 56.1 mt-30 -60.28 -52.0 67.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -84.37 7.21 20.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.835 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 32.6 mtp85 -110.09 165.45 11.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 10.9 m -127.06 145.38 50.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.6 tp -90.59 110.06 21.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.461 ' HB2' ' CD1' ' A' ' 53' ' ' LEU . 8.0 t70 -77.67 105.48 8.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 15.4 t -119.93 102.91 13.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.108 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -123.47 132.3 53.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.078 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 60.3 t -113.13 104.79 17.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.98 172.59 12.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.469 ' OD1' ' N ' ' A' ' 100' ' ' SER . 9.1 t30 -81.3 132.79 35.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.469 ' N ' ' OD1' ' A' ' 99' ' ' ASN . 10.4 t -68.88 136.64 52.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -66.51 -139.89 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.476 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 109.42 -67.33 0.23 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.469 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -112.37 40.06 2.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.912 0.387 . . . . 0.0 110.88 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 74.6 mt -135.28 149.49 49.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.941 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 15.5 m -91.18 6.56 44.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.44 137.45 40.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.883 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -107.43 -9.97 15.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 26.9 mmtm -83.33 22.17 1.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -78.63 54.75 4.11 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.494 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.7 tp -74.82 129.51 37.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.82 0.343 . . . . 0.0 110.952 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 16.6 mt -92.16 -44.13 8.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -172.83 151.03 13.16 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.494 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 10.0 ptmm? -150.22 161.0 43.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.806 0.336 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 14.3 p -159.15 130.99 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -97.53 148.93 22.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 93.7 t -128.79 134.86 63.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.133 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -87.48 113.08 22.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.438 HD12 ' CG2' ' A' ' 88' ' ' VAL . 9.9 mt -89.94 21.98 3.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -86.97 28.65 0.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.045 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.1 m -91.3 172.95 8.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.85 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -110.17 -28.62 8.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -82.78 48.94 1.4 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 12.6 mt -88.29 -48.13 7.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -46.35 -38.16 8.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.108 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 24.4 mttp -77.19 -37.24 53.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 82.46 154.37 14.55 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.464 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 17.2 p90 -148.15 158.6 44.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.84 0.352 . . . . 0.0 110.939 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 85.6 m -129.0 134.23 48.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.125 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -167.82 155.86 8.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' TRP . . . . . 0.493 ' CE2' ' HB2' ' A' ' 14' ' ' GLN . 68.3 m95 -90.31 121.43 32.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -92.48 102.59 15.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -56.32 120.74 8.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 20.4 mt -67.39 153.11 44.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 35.3 p -144.5 170.23 16.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -76.28 158.5 31.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -61.62 153.46 27.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 30.5 t -103.83 41.05 1.33 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -43.74 -92.69 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 140' ' ' SER . 53.0 Cg_endo -69.83 172.98 11.71 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.646 2.231 . . . . 0.0 112.311 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 139' ' ' PRO . 2.2 t 35.92 41.42 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 140' ' ' SER . 5.9 m -36.8 145.44 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.524 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t -112.49 121.62 45.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.889 0.376 . . . . 0.0 110.854 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.5 t -91.65 92.31 8.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.844 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.38 -126.1 4.61 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.453 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 t 52.0 52.24 14.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.878 0.371 . . . . 0.0 110.882 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.4 t -110.48 71.79 0.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.828 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.474 ' O ' ' C ' ' A' ' 8' ' ' SER . . . 95.95 40.35 4.08 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.445 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.474 ' C ' ' O ' ' A' ' 7' ' ' GLY . 64.9 p -32.55 95.94 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.618 0.723 . . . . 0.0 110.85 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.446 ' N ' ' O ' ' A' ' 7' ' ' GLY . 53.4 Cg_endo -69.8 -25.11 28.77 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.676 2.251 . . . . 0.0 112.33 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 95.6 mt -100.79 -34.39 9.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 141.6 -176.42 21.88 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.413 ' HG3' ' CB ' ' A' ' 8' ' ' SER . 35.8 mt-30 -141.16 158.45 43.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.78 0.324 . . . . 0.0 110.944 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.463 ' CD1' HG13 ' A' ' 48' ' ' VAL . 19.3 tt -148.62 131.23 6.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.084 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.508 ' HB2' ' CE2' ' A' ' 130' ' ' TRP . 24.0 tt0 -98.78 119.13 37.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 46.4 mt -134.2 130.35 37.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 46.4 m -97.81 110.64 23.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 26.2 mt -99.72 123.07 52.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.155 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -152.59 111.59 3.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.43 ' ND1' ' C ' ' A' ' 19' ' ' HIS . 3.9 t-80 -103.42 117.65 34.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.824 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 24' ' ' ASN . 9.7 t -84.55 124.93 31.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 60.9 p -69.65 -35.22 75.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.821 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -66.45 -48.73 69.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.943 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.453 ' C ' ' CG ' ' A' ' 24' ' ' ASN . 24.8 mtp180 -87.25 -14.24 41.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.453 ' CG ' ' C ' ' A' ' 23' ' ' ARG . 0.7 OUTLIER 48.8 52.64 13.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.82 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.411 ' HE3' ' NH2' ' A' ' 23' ' ' ARG . 30.3 mttt -137.08 145.79 44.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.7 tp -99.32 108.71 21.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.9 mp -100.17 126.61 53.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 18.0 t -131.65 116.01 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.8 t -94.46 148.6 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.4 t -125.47 84.34 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.176 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -51.71 -73.62 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -172.83 167.39 5.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 71.6 m -114.59 154.43 28.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -143.77 165.08 28.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 52.03 48.67 22.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 76.3 mt -99.56 93.62 5.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.952 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.9 pp -51.64 149.08 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -114.99 130.6 56.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.068 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -48.24 -28.2 2.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 35.4 t -147.19 129.37 15.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -43.94 -40.21 4.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -38.94 -40.52 0.66 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 136.18 162.63 9.6 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.448 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.1 m -149.16 172.09 15.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.865 0.364 . . . . 0.0 110.866 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.43 84.97 15.38 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.636 0.731 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 144.93 55.58 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.666 2.244 . . . . 0.0 112.395 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -156.29 142.8 18.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.463 HG13 ' CD1' ' A' ' 13' ' ' ILE . 46.3 t -98.71 140.73 17.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.127 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.452 ' N ' HG12 ' A' ' 48' ' ' VAL . 56.1 ttp180 -123.18 160.96 25.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.452 ' HE2' ' CG ' ' A' ' 79' ' ' PHE . 51.2 mtm -142.78 120.84 12.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.417 ' CE1' ' HD2' ' A' ' 49' ' ' ARG . 3.5 m-85 -128.76 126.83 40.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.6 tp -78.06 86.56 4.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.903 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.521 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 50.1 mt -67.74 155.46 91.42 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.606 0.717 . . . . 0.0 110.883 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.6 Cg_endo -69.76 -50.35 0.19 OUTLIER 'Cis proline' 0 C--O 1.232 0.184 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.343 -0.163 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 54' ' ' PRO . 3.2 m-20 -34.33 132.64 0.27 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.495 ' CD ' ' O ' ' A' ' 54' ' ' PRO . 0.0 OUTLIER -128.16 38.07 4.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -41.29 137.62 1.38 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.7 tpt85 -72.63 -25.28 61.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.1 t -74.76 -35.39 62.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.77 -1.49 58.83 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -48.41 117.18 1.86 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.82 0.343 . . . . 0.0 110.877 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 47.8 mmt-85 -136.8 108.85 7.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.2 ptmt -130.79 170.2 14.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 58.2 p -98.25 168.04 10.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.159 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -52.57 150.55 4.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.435 ' O ' ' CG1' ' A' ' 66' ' ' VAL . 10.4 p -111.55 99.53 8.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.096 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.4 m -73.95 152.65 40.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -120.89 161.82 20.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp 52.4 40.64 29.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.6 t -156.27 148.69 23.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.146 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 34.3 mt -105.67 -17.21 14.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -123.09 80.8 51.42 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.608 0.718 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 154.86 67.33 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.386 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 59.4 t -135.3 128.24 48.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.106 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -121.44 -64.06 1.26 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.9 t70 69.16 34.76 2.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.932 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -100.67 156.58 17.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.1 t -126.63 120.86 30.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.831 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.452 ' CG ' ' HE2' ' A' ' 50' ' ' MET . 3.3 m-85 -98.02 171.8 8.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -152.29 144.73 24.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -142.32 121.25 12.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 34.1 p -68.2 89.86 0.33 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.8 p -143.7 136.13 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.424 ' C ' ' HD2' ' A' ' 86' ' ' PRO . 1.0 OUTLIER -74.77 144.18 43.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.855 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.566 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 3.2 tp -49.41 -46.28 77.74 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.606 0.717 . . . . 0.0 110.919 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.566 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 65.3 Cg_exo -47.96 -40.91 33.24 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.701 2.267 . . . . 0.0 112.333 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -79.69 -49.64 11.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -62.77 -16.87 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -61.59 -54.33 44.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.942 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.12 -30.68 58.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 85.9 mtt-85 -65.74 172.6 3.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.7 m -141.9 144.58 33.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.0 tp -87.15 109.78 19.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.5 101.87 10.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 18.2 t -112.87 109.61 29.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -132.51 131.63 41.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.107 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 84.1 t -107.05 105.73 19.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.01 177.66 4.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -98.78 121.43 40.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 14.2 t -65.1 106.03 1.2 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.83 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -167.7 54.03 0.23 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.451 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -115.6 93.68 0.63 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -76.51 -48.11 20.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.877 0.37 . . . . 0.0 110.907 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 6.4 mp -91.06 -52.04 5.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 48.8 m -140.25 -179.35 5.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.2 mmtp -51.83 158.25 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.906 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -51.96 133.19 32.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.852 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.79 17.24 13.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -146.79 110.8 0.54 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.5 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.0 tp -87.93 125.57 34.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.813 0.339 . . . . 0.0 110.898 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 44.5 mt -82.09 -41.56 20.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 179.12 152.94 11.0 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.491 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.455 ' N ' HD23 ' A' ' 133' ' ' LEU . 13.8 ptmt -153.02 153.21 32.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.814 0.34 . . . . 0.0 110.877 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 7.3 p -148.19 126.37 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.157 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -92.5 147.96 22.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 69.7 t -131.87 118.96 39.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.087 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.91 111.13 10.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 11.2 mt -87.01 19.15 3.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -82.85 8.52 12.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 96.6 p -74.73 165.03 25.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -104.05 -8.58 19.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -75.03 -9.15 58.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 12.6 mt -51.29 -32.74 25.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -50.66 -29.64 11.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -113.38 -51.91 2.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 108.78 156.39 17.86 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.486 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 36.5 p90 -145.93 154.98 42.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.806 0.336 . . . . 0.0 110.965 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 27.2 m -120.66 130.82 54.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.104 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -163.63 160.39 22.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.941 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' TRP . . . . . 0.508 ' CE2' ' HB2' ' A' ' 14' ' ' GLN . 81.0 m95 -93.75 120.04 33.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -88.93 102.35 14.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -56.99 117.8 4.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.455 HD23 ' N ' ' A' ' 113' ' ' LYS . 14.1 mt -64.72 133.19 51.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 81.6 p -121.73 -179.75 4.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -85.65 164.08 17.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -82.08 176.01 9.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.867 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 29.4 t -130.35 -40.86 1.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -111.0 82.69 0.3 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -31.32 21.01 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.71 2.273 . . . . 0.0 112.348 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 54.2 p -66.11 133.86 51.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.811 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 8.5 t -96.49 -56.8 2.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.884 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.455 -179.979 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -138.4 146.56 42.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.905 0.383 . . . . 0.0 110.867 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.3 p -84.87 -43.93 13.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.8 -136.12 12.52 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.506 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.4 m -131.31 171.79 12.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.832 0.349 . . . . 0.0 110.91 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.1 t -90.1 135.14 33.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.832 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 49.19 -158.99 1.01 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 62.8 m -122.33 83.16 46.19 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.664 0.745 . . . . 0.0 110.846 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -20.37 34.85 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.651 2.234 . . . . 0.0 112.303 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.424 ' CD1' ' C ' ' A' ' 134' ' ' THR . 95.8 mt -92.98 -46.04 7.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 146.64 -169.65 27.78 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.516 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -144.16 158.86 43.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.792 0.33 . . . . 0.0 110.929 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 tt -154.36 134.77 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.447 ' OE1' ' CD1' ' A' ' 130' ' ' TRP . 6.4 tt0 -104.46 123.87 48.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.464 ' CD1' HG11 ' A' ' 95' ' ' VAL . 21.7 mt -132.6 124.31 28.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.9 m -88.22 108.08 19.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.187 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 53.3 mt -101.52 122.23 53.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.143 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.457 ' HG3' ' CA ' ' A' ' 126' ' ' GLY . 13.7 ttm105 -151.53 106.26 3.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -98.42 116.22 30.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.823 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 24' ' ' ASN . 14.9 t -81.95 129.83 34.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.5 p -73.36 -43.32 60.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -61.13 -40.4 93.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 66.5 mtt180 -92.7 -24.03 18.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 20' ' ' SER . 12.7 m-80 56.38 51.89 10.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.2 mttm -132.18 150.04 52.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 24.0 tp -105.5 104.46 14.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.461 HG23 ' N ' ' A' ' 28' ' ' VAL . 5.4 mp -100.55 137.46 28.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.116 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.461 ' N ' HG23 ' A' ' 27' ' ' ILE . 21.9 t -137.17 116.12 14.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.165 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.5 t -96.63 129.78 46.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.5 t -108.65 83.49 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.126 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -51.63 -73.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.836 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.447 ' HB1' ' CG2' ' A' ' 74' ' ' VAL . . . -174.57 159.01 2.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.044 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 38.2 m -106.2 164.01 12.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.461 ' HD3' ' CH2' ' A' ' 130' ' ' TRP . 7.3 ptm180 -149.95 161.03 43.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 59.16 41.73 19.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.9 mt -95.02 94.03 7.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.2 pp -50.59 160.37 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -122.86 134.84 54.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -59.83 -22.58 62.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.2 t -154.54 119.79 5.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.845 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 42' ' ' ASP . 18.6 tt0 -37.64 -41.48 0.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 41' ' ' GLU . 5.1 t0 -37.02 -47.47 0.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 150.39 146.65 4.37 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.516 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.3 p -128.78 163.68 24.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.884 0.373 . . . . 0.0 110.86 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.8 81.04 6.97 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.621 0.724 . . . . 0.0 110.875 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 148.18 64.44 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.704 2.269 . . . . 0.0 112.319 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 21.8 p90 -161.96 154.48 19.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.6 t -104.33 142.5 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.116 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 29.7 ttt180 -131.04 124.84 31.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 69.8 mtm -115.89 118.47 33.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -124.63 122.94 38.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.3 tp -74.8 88.43 2.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.531 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 83.8 mt -67.78 153.56 94.93 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.611 0.72 . . . . 0.0 110.936 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.8 Cg_endo -69.72 -38.41 1.63 Allowed 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.345 -0.14 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.454 ' C ' ' O ' ' A' ' 54' ' ' PRO . 13.8 t70 -34.29 114.09 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -116.15 -5.58 11.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -44.32 168.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.6 tmm_? -78.62 -18.9 53.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.6 t -59.69 -23.7 63.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -111.53 12.67 27.96 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.493 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.426 ' C ' ' HD2' ' A' ' 61' ' ' ARG . 0.4 OUTLIER -61.81 115.67 4.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.758 0.313 . . . . 0.0 110.877 -179.854 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -137.28 113.94 10.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.1 pttm -145.6 164.38 31.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 10.2 p -97.95 175.24 6.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.11 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.433 ' CG ' ' N ' ' A' ' 66' ' ' VAL . 86.5 t60 -57.35 166.56 1.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.433 ' N ' ' CG ' ' A' ' 65' ' ' HIS . 23.3 t -111.32 99.64 9.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.0 m -66.24 142.48 57.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.7 mtpt -117.34 154.72 30.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.4 mptt 46.25 54.14 8.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.884 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.9 t -162.78 149.71 13.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 46.0 mt -107.96 -32.97 7.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.886 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -107.55 75.69 0.49 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.606 0.717 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 152.49 69.53 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.701 2.268 . . . . 0.0 112.313 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.447 ' CG2' ' HB1' ' A' ' 32' ' ' ALA . 2.5 p -147.54 120.13 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.141 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.45 ' O ' ' CG ' ' A' ' 76' ' ' ASP . 0.8 OUTLIER -110.85 -32.68 6.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.45 ' CG ' ' O ' ' A' ' 75' ' ' PHE . 0.7 OUTLIER 47.23 39.42 8.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -97.65 145.11 26.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 37.3 t -113.74 113.09 24.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -96.74 170.37 9.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -153.7 143.39 21.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.877 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -137.09 126.93 25.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 69.1 p -74.35 90.26 2.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.826 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.7 p -143.56 134.63 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.173 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.466 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 1.5 m -74.25 147.97 41.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.607 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 4.4 tp -52.47 -44.63 94.77 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.59 0.71 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.607 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 65.6 Cg_exo -48.02 -41.58 33.03 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.664 2.243 . . . . 0.0 112.333 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -79.16 -64.89 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.462 ' CG1' ' N ' ' A' ' 89' ' ' GLN . 1.3 p -42.12 -40.74 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.112 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.462 ' N ' ' CG1' ' A' ' 88' ' ' VAL . 65.2 mt-30 -45.26 -43.22 10.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 87.2 mtt-85 -84.84 -20.35 31.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 55.5 mtt180 -82.67 168.39 17.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.448 HG23 ' N ' ' A' ' 93' ' ' LEU . 25.9 m -135.75 145.74 46.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.178 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.448 ' N ' HG23 ' A' ' 92' ' ' THR . 5.3 tp -91.2 96.57 10.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.442 ' HB2' ' CD1' ' A' ' 53' ' ' LEU . 23.5 t70 -71.63 99.31 2.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.464 HG11 ' CD1' ' A' ' 15' ' ' LEU . 11.6 t -108.6 106.63 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.115 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -122.89 125.62 45.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.133 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 43.3 t -108.68 101.56 12.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.1 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.76 -176.75 3.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -99.22 115.64 29.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.8 t -42.65 98.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -101.06 -117.25 4.16 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.532 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -39.6 99.71 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.49 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -60.64 127.92 34.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.838 0.352 . . . . 0.0 110.931 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.5 mm? 40.26 43.42 1.41 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.932 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.1 t -156.86 177.18 11.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.812 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.7 ptmt -42.62 143.33 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.56 109.21 16.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 9.1 pttt -116.99 22.06 12.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.825 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -123.89 70.79 0.44 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.532 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 14.5 tp -93.51 126.07 38.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.836 0.35 . . . . 0.0 110.914 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 54.5 mt -89.88 -52.13 5.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -163.77 147.98 13.95 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.475 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.433 ' CA ' HD23 ' A' ' 133' ' ' LEU . 14.3 ptmt -149.36 160.09 43.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.814 0.34 . . . . 0.0 110.929 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 7.2 p -154.9 127.07 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.143 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.424 HD21 ' N ' ' A' ' 115' ' ' LEU . 3.5 mm? -90.85 146.37 23.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 92.2 t -128.11 116.99 44.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.104 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.41 111.01 8.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.077 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.445 ' CD1' HG22 ' A' ' 88' ' ' VAL . 11.9 mt -83.58 19.57 1.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.938 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -83.51 19.41 1.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 42.0 m -83.23 161.91 21.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -106.0 -17.9 14.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -90.53 41.12 1.04 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.423 HD22 ' CZ3' ' A' ' 127' ' ' TRP . 13.5 mt -83.49 -49.87 8.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -42.0 -42.37 2.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.429 ' CG ' ' N ' ' A' ' 126' ' ' GLY . 37.0 pttt -71.89 -43.69 64.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.457 ' CA ' ' HG3' ' A' ' 18' ' ' ARG . . . 89.99 147.25 16.81 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . 0.423 ' CZ3' HD22 ' A' ' 123' ' ' LEU . 15.3 p90 -144.92 156.69 44.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.844 0.354 . . . . 0.0 110.878 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 98.9 m -130.28 131.85 45.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -161.04 160.48 30.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.931 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' TRP . . . . . 0.461 ' CH2' ' HD3' ' A' ' 34' ' ' ARG . 73.8 m95 -93.64 109.94 21.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.944 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -80.87 101.49 9.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -61.31 115.26 3.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.433 HD23 ' CA ' ' A' ' 113' ' ' LYS . 30.1 mt -62.86 135.18 57.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' THR . . . . . 0.424 ' C ' ' CD1' ' A' ' 10' ' ' LEU . 44.7 p -124.66 171.69 9.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -70.91 165.25 23.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 22.9 p-10 -66.27 130.57 43.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.843 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 18.0 m -124.71 128.03 48.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 96.11 82.56 1.62 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.454 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -29.73 23.26 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.655 2.236 . . . . 0.0 112.355 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 96.5 p -67.91 162.91 23.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.824 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 80.4 p -100.53 99.01 9.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.827 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.471 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.5 m -90.43 41.93 1.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.838 0.352 . . . . 0.0 110.84 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.5 m -42.33 112.13 0.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.14 -143.7 3.75 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.457 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.6 t -71.7 94.55 1.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.372 . . . . 0.0 110.829 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -99.98 88.23 3.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.828 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.87 108.69 0.21 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.5 t -40.31 113.54 0.96 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.646 0.736 . . . . 0.0 110.862 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -23.28 30.82 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.674 2.249 . . . . 0.0 112.316 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 63.3 mt -101.22 -41.79 6.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.458 ' CA ' ' O ' ' A' ' 35' ' ' ASN . . . 142.73 175.93 16.35 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.457 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -130.1 172.53 11.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.785 0.326 . . . . 0.0 110.94 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.5 tt -163.48 130.33 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.131 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -99.43 122.46 42.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.951 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.428 ' CD1' HG12 ' A' ' 95' ' ' VAL . 39.5 mt -135.32 117.4 15.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.7 m -79.82 101.95 8.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 40.2 mt -96.84 111.7 27.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.132 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.0 ttm180 -143.44 125.61 15.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 38.6 t-80 -103.13 101.98 11.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.8 m -66.39 122.18 16.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 72.5 p -69.96 -46.23 65.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -63.36 -47.6 81.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.4 mtp85 -79.05 -22.53 45.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.5 m120 56.44 47.11 19.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.5 mttt -139.65 155.16 47.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 19.6 tp -101.36 104.1 15.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.7 mp -91.49 124.5 44.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.166 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 99.5 t -128.04 108.6 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.172 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.8 t -95.82 136.98 25.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.6 t -116.74 92.04 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -57.06 -72.21 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -172.27 161.09 5.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.112 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 9.0 m -113.81 154.55 27.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.1 ptt180 -142.66 174.13 10.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.458 ' O ' ' CA ' ' A' ' 11' ' ' GLY . 91.4 m-20 52.1 49.13 21.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.929 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.3 mt -108.87 89.24 2.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.7 pp -46.74 154.02 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.43 ' HB1' ' CD2' ' A' ' 71' ' ' LEU . . . -109.88 137.97 46.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.075 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -62.29 -21.95 65.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 41' ' ' GLU . 4.0 t -158.02 122.77 4.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 42' ' ' ASP . 10.5 tp10 -35.74 -43.46 0.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 41' ' ' GLU . 38.5 m-20 -35.33 -48.79 0.48 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 148.04 137.08 2.84 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.497 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.8 p -115.48 155.89 26.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 0.0 110.819 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.14 81.12 3.59 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.613 0.721 . . . . 0.0 110.824 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 137.01 34.58 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.688 2.258 . . . . 0.0 112.385 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 12.1 p90 -146.75 135.49 22.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.949 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 93.6 t -88.07 141.19 14.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.127 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.434 ' HD3' ' CE1' ' A' ' 51' ' ' TYR . 9.9 ttm180 -131.41 130.2 42.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.566 ' O ' ' CD1' ' A' ' 51' ' ' TYR . 63.9 mtm -113.53 151.48 31.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.566 ' CD1' ' O ' ' A' ' 50' ' ' MET . 12.3 m-85 -158.04 126.02 5.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.906 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 23.2 tp -85.37 80.7 9.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.959 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.516 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 1.5 mm? -61.76 154.49 66.52 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.587 0.708 . . . . 0.0 110.914 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.1 Cg_endo -69.82 -51.18 0.16 OUTLIER 'Cis proline' 0 C--O 1.231 0.148 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.323 -0.075 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -40.82 141.13 0.62 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.864 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 57' ' ' ARG . 4.0 mptt -129.75 22.62 5.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 56' ' ' LYS . 13.4 mmt180 -34.36 149.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 61' ' ' ARG . 57.4 mtt180 -69.4 -56.51 7.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.7 p -46.16 -22.29 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -93.09 -26.47 16.2 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.513 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.424 ' HG3' ' CZ ' ' A' ' 51' ' ' TYR . 15.6 ttt180 -60.48 105.27 0.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.848 0.356 . . . . 0.0 110.851 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.547 ' HB3' ' CD2' ' A' ' 79' ' ' PHE . 25.2 mmt85 -118.42 109.25 16.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.841 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -117.96 168.15 10.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 51.7 p -100.36 161.02 13.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 29.7 m80 -52.43 154.51 2.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.9 t -99.11 110.13 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.105 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 35.6 m -85.76 142.71 28.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -120.93 159.45 25.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.6 mptt 57.28 44.59 21.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.6 t -168.07 137.63 2.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.117 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.43 ' CD2' ' HB1' ' A' ' 38' ' ' ALA . 77.4 mt -92.34 -24.59 18.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -114.64 85.67 11.66 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.65 0.738 . . . . 0.0 110.93 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.433 ' HB2' ' CZ ' ' A' ' 75' ' ' PHE . 53.7 Cg_endo -69.77 155.11 66.76 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.694 2.263 . . . . 0.0 112.375 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 90.4 t -138.09 118.91 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.179 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.433 ' CZ ' ' HB2' ' A' ' 73' ' ' PRO . 1.4 m-85 -117.06 -53.26 2.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.2 t70 60.11 33.35 21.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -94.05 160.75 14.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 41.7 t -130.64 121.79 26.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.547 ' CD2' ' HB3' ' A' ' 62' ' ' ARG . 23.3 m-85 -105.92 170.04 8.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.903 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -147.94 155.16 41.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -148.21 129.94 15.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 55.1 p -76.79 91.04 3.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.7 p -143.48 135.16 23.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.103 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.487 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 1.0 OUTLIER -75.22 149.26 38.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.832 -179.81 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.606 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 0.3 OUTLIER -52.81 -44.58 96.38 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.604 0.716 . . . . 0.0 110.904 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 65.0 Cg_exo -47.92 -41.63 32.31 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.654 2.236 . . . . 0.0 112.362 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 89' ' ' GLN . 1.0 OUTLIER -80.92 -60.15 2.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.444 HG12 ' N ' ' A' ' 89' ' ' GLN . 0.7 OUTLIER -38.16 -26.67 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.104 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 87' ' ' GLU . 73.0 mt-30 -62.58 -54.55 37.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -75.32 -18.14 60.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 76.8 mtt-85 -79.03 171.15 15.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.9 m -141.52 144.59 34.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.148 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.9 tp -95.46 95.86 8.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.62 99.97 1.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.905 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.428 HG12 ' CD1' ' A' ' 15' ' ' LEU . 39.3 t -108.85 101.23 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -119.61 124.53 46.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.084 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 70.5 t -108.07 102.2 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.127 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.19 176.46 8.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -86.23 146.55 26.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 46.3 t -75.87 105.98 7.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 91.8 96.79 1.32 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.469 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -66.36 -99.41 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.483 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -153.29 163.92 39.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.853 0.358 . . . . 0.0 110.895 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 90.0 mt -37.85 -58.16 0.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.955 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.8 m -39.94 -71.99 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.2 mtmm -145.16 145.59 31.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.64 20.44 6.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.899 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.11 5.73 36.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -46.57 97.76 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.469 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.8 tp -102.7 133.24 48.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.79 0.329 . . . . 0.0 110.959 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 96.2 mt -94.18 -42.52 8.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -175.64 132.18 2.08 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.443 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -134.45 154.89 51.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.815 0.34 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 11.8 p -154.3 123.82 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.177 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -90.77 144.59 25.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 86.1 t -128.55 115.61 38.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.142 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.76 111.8 9.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 12.0 mt -84.52 26.82 0.76 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -90.99 19.45 5.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.117 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.1 m -90.03 154.2 19.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -96.96 24.56 6.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.903 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -104.91 -11.44 16.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 19.5 mt -54.27 -36.18 63.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -42.96 -29.54 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -111.69 -56.74 2.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 114.48 152.46 10.49 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 28.6 p90 -145.83 156.59 43.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.832 0.349 . . . . 0.0 110.923 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 97.3 m -129.05 132.69 47.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.116 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -164.79 157.82 16.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' TRP . . . . . . . . . . . . . 49.3 m95 -89.18 100.8 13.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -70.86 102.72 2.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.948 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -58.97 115.38 3.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 75.0 mt -64.51 143.77 57.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 79.3 p -125.82 174.38 8.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -78.63 169.75 17.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -74.26 136.73 42.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 97.2 p -116.72 148.98 40.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.832 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 110.54 73.09 0.71 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 141.41 45.14 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.667 2.245 . . . . 0.0 112.356 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.1 t -162.45 130.57 3.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.87 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 29.5 p -102.48 150.34 23.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.522 179.999 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.2 m 49.15 46.96 22.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.84 0.353 . . . . 0.0 110.825 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.0 p -95.13 -46.35 6.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.64 123.35 1.57 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 t -98.8 99.11 10.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.849 0.356 . . . . 0.0 110.89 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.1 t -128.54 127.18 41.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.08 106.81 2.53 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.46 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.9 p -170.35 116.2 0.48 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.671 0.748 . . . . 0.0 110.826 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.86 -27.57 25.85 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.68 2.253 . . . . 0.0 112.346 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 71.4 mt -81.65 -48.0 12.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.931 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 143.02 -178.81 21.04 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.457 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -138.16 175.08 9.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.782 0.325 . . . . 0.0 110.937 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.9 tt -155.9 131.57 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.129 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.453 ' NE2' ' NE1' ' A' ' 130' ' ' TRP . 31.5 tt0 -98.86 119.29 37.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.2 mt -136.61 138.61 41.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 97.0 m -104.6 105.72 15.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 28.1 mt -97.71 125.41 50.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.079 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 38.0 ttt180 -155.65 110.55 2.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.457 ' NE2' ' N ' ' A' ' 85' ' ' LEU . 8.4 t-80 -98.04 113.37 25.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.814 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.6 t -79.51 131.67 36.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.9 p -76.34 -30.74 57.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.835 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -73.56 -48.0 36.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.443 ' O ' ' CG ' ' A' ' 24' ' ' ASN . 13.6 mmm-85 -87.86 -12.59 44.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.443 ' CG ' ' O ' ' A' ' 23' ' ' ARG . 5.6 p-10 46.56 50.48 12.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.5 mttm -133.77 150.57 51.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 19.4 tp -105.54 107.09 17.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.3 mp -95.77 125.92 48.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.161 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 42.3 t -128.58 106.93 15.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.169 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 49.1 t -92.8 138.01 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.097 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 82.4 t -114.68 79.72 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.119 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -44.75 -72.52 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -172.13 163.37 5.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.081 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 63.3 m -115.4 144.22 44.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.826 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.5 ptt180 -136.38 163.81 29.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 61.46 45.03 8.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 76.9 mt -101.34 94.95 6.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.942 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.7 pp -53.94 136.25 15.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.458 ' HB2' ' CD2' ' A' ' 71' ' ' LEU . . . -98.98 132.27 44.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -52.61 -34.78 52.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.4 t -134.4 120.78 20.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.853 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 42' ' ' ASP . 44.2 mt-10 -37.45 -48.85 0.99 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 41' ' ' GLU . 1.3 m-20 -36.25 -46.0 0.49 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 157.58 164.23 13.57 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.471 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 59.0 p -146.0 159.36 43.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.863 0.363 . . . . 0.0 110.838 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.46 ' HB2' ' CG1' ' A' ' 66' ' ' VAL . 17.7 p30 -113.14 82.63 5.66 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.626 0.727 . . . . 0.0 110.867 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 149.53 66.72 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.707 2.272 . . . . 0.0 112.344 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.2 p90 -161.1 143.15 12.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 65.8 t -102.01 147.68 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.123 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -133.8 136.0 44.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.862 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.56 ' HE1' ' CD1' ' A' ' 79' ' ' PHE . 50.7 mtm -114.42 143.86 44.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.51 ' CZ ' ' HG3' ' A' ' 61' ' ' ARG . 11.7 m-85 -151.04 114.18 4.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.415 ' O ' ' O ' ' A' ' 55' ' ' ASP . 15.1 tp -70.35 79.54 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.522 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 79.0 mt -57.89 155.54 22.82 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.584 0.707 . . . . 0.0 110.906 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.7 Cg_endo -69.77 -51.62 0.16 OUTLIER 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.65 -1.813 . . . . 0.0 112.38 -0.152 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.415 ' O ' ' O ' ' A' ' 52' ' ' LEU . 5.1 m-20 -47.81 142.82 4.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.903 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.47 ' N ' ' HD3' ' A' ' 56' ' ' LYS . 2.0 mppt? -116.69 23.42 12.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -38.52 157.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.887 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 61' ' ' ARG . 38.8 mtt85 -60.23 -53.22 60.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 58' ' ' ARG . 58.7 m -37.33 -55.51 1.02 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.814 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.63 -23.92 77.42 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.511 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.51 ' HG3' ' CZ ' ' A' ' 51' ' ' TYR . 15.1 ttt180 -71.34 105.88 3.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.825 0.345 . . . . 0.0 110.861 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.559 ' HB3' ' CD2' ' A' ' 79' ' ' PHE . 15.1 mmt85 -136.58 118.33 15.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.04 164.08 14.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 77.8 p -103.79 166.44 10.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.148 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 60.5 t60 -51.95 158.14 1.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.46 ' CG1' ' HB2' ' A' ' 45' ' ' ASP . 70.8 t -106.51 102.28 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.1 m -68.35 142.74 55.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.9 mmtt -119.32 144.84 46.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm 57.99 46.33 16.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 13.8 t -161.65 153.39 19.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.458 ' CD2' ' HB2' ' A' ' 38' ' ' ALA . 94.0 mt -104.95 -27.8 11.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.539 ' ND2' ' C ' ' A' ' 72' ' ' ASN . 0.5 OUTLIER -113.81 89.35 15.93 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.636 0.732 . . . . 0.0 110.908 179.909 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.422 ' HB2' ' CZ ' ' A' ' 75' ' ' PHE . 53.4 Cg_endo -69.75 149.93 67.6 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.706 2.27 . . . . 0.0 112.335 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 46.2 t -131.33 113.19 22.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.186 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.422 ' CZ ' ' HB2' ' A' ' 73' ' ' PRO . 11.3 m-85 -110.98 -56.53 2.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.5 t70 63.72 36.76 10.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -100.76 160.33 14.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.4 t -130.74 117.19 19.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.56 ' CD1' ' HE1' ' A' ' 50' ' ' MET . 32.4 m-85 -100.06 161.19 13.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -141.32 153.31 45.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -146.47 132.73 19.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 63.8 p -77.27 91.43 3.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.88 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.5 p -143.51 132.48 19.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.126 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.477 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 1.1 m -74.7 147.72 41.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.605 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 0.3 OUTLIER -52.97 -44.37 96.7 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.655 0.741 . . . . 0.0 110.967 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 65.5 Cg_exo -48.06 -37.58 30.48 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.656 2.237 . . . . 0.0 112.355 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 89' ' ' GLN . 5.2 mm-40 -85.62 -59.64 2.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.915 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.463 ' CG2' HD11 ' A' ' 118' ' ' LEU . 0.9 OUTLIER -38.26 -26.46 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 87' ' ' GLU . 70.6 mt-30 -61.51 -48.39 81.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 76.0 mtt180 -78.83 -22.38 46.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 67.2 mtt-85 -78.32 171.66 14.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.6 m -145.59 136.95 25.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.195 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.0 tp -82.9 100.25 10.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -76.06 100.44 4.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 11.7 t -108.79 108.96 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -127.9 126.47 41.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.103 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 90.7 t -104.06 104.51 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.14 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 35.7 mttt -122.22 176.04 6.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 25.9 p30 -106.8 139.81 40.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 42.7 t -70.49 99.72 1.66 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -160.48 41.55 0.44 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -76.15 149.34 37.37 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.513 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -88.65 -51.3 5.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.885 0.374 . . . . 0.0 110.906 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.94 -75.07 0.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.935 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 71.6 m -112.64 -47.17 3.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.92 168.98 18.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.857 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -94.99 152.26 18.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 48.6 mttp -103.45 17.85 23.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -109.71 91.33 0.63 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.469 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.8 tp -81.12 121.88 26.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.861 0.362 . . . . 0.0 110.928 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 76.9 mt -85.37 -34.48 21.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 175.79 150.92 8.32 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.442 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.7 ptmm? -156.71 150.23 24.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.348 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 14.8 p -154.67 125.41 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.165 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.488 ' CD2' ' N ' ' A' ' 115' ' ' LEU . 1.1 mm? -88.53 155.6 19.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.953 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 75.6 t -134.13 108.65 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.57 109.96 3.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.463 HD11 ' CG2' ' A' ' 88' ' ' VAL . 6.7 mt -85.39 26.27 0.93 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -87.55 27.89 1.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.081 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 56.5 m -93.17 160.42 14.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -101.47 -17.02 16.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -91.76 41.65 1.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 11.6 mt -83.15 -51.82 7.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -40.61 -41.51 1.5 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 32.9 mtpt -72.07 -45.49 60.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 91.64 153.13 29.33 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.472 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 15.2 p90 -147.87 159.73 43.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.885 0.374 . . . . 0.0 110.895 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 88.5 m -133.87 130.01 37.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.152 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -165.17 163.56 20.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' TRP . . . . . 0.453 ' NE1' ' NE2' ' A' ' 14' ' ' GLN . 85.1 m95 -93.8 124.24 37.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.947 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -95.25 101.2 12.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.96 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.411 ' O ' ' CG ' ' A' ' 132' ' ' ASP . 0.7 OUTLIER -56.91 115.28 2.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 55.5 mt -63.62 143.24 57.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 76.6 p -131.48 158.55 40.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -71.31 154.42 41.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -59.48 140.67 56.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 50.2 m -116.94 124.46 49.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 165.02 74.61 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.511 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 92.91 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.691 2.261 . . . . 0.0 112.375 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 52.4 m 48.41 43.03 19.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.819 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 2.8 m -161.23 126.46 3.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.485 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.3 m -110.7 96.27 6.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.832 0.348 . . . . 0.0 110.846 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.0 p -36.79 149.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.815 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.81 120.71 5.33 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.496 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 t -90.68 133.23 35.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 0.0 110.843 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -78.88 113.41 16.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.868 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.92 52.28 0.4 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.542 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.3 p -166.02 122.91 1.02 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.644 0.735 . . . . 0.0 110.891 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -29.12 24.66 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.682 2.254 . . . . 0.0 112.377 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.8 mt -76.36 -52.7 9.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 148.59 -174.96 28.09 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.512 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -136.19 175.01 9.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.783 0.325 . . . . 0.0 110.919 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 15.1 tt -161.54 134.93 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.173 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.516 ' HB2' ' CZ2' ' A' ' 130' ' ' TRP . 23.4 tt0 -99.46 119.79 38.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.0 mt -137.03 138.75 40.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.951 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 90.4 m -103.93 109.1 20.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.463 HG22 ' CD2' ' A' ' 123' ' ' LEU . 78.9 mt -100.76 118.2 47.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.125 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 38.1 ttp180 -147.82 115.82 6.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.2 t-80 -97.97 107.01 19.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.802 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.4 m -74.6 120.94 20.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.844 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 25.0 p -68.12 -54.69 16.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.858 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -51.56 -44.09 62.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.7 mmm180 -83.26 -20.23 34.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.7 m120 55.07 45.9 25.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.0 mttm -137.49 158.48 44.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 39.0 tp -106.32 108.53 20.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.5 mp -96.98 133.07 39.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 92.2 t -139.82 109.8 3.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.3 t -91.41 142.55 12.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.149 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.7 t -121.72 94.57 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.161 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -61.13 -73.54 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -171.81 163.56 6.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 63.1 m -112.88 147.2 37.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -139.43 165.07 28.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 62.22 39.25 12.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 48.2 mt -96.0 106.88 19.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.415 ' C ' HD11 ' A' ' 37' ' ' ILE . 2.5 pp -61.6 139.65 20.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -99.01 113.6 25.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.127 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -41.17 -36.35 0.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 41' ' ' GLU . 34.9 t -135.22 116.9 14.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 40' ' ' SER . 12.8 mt-10 -35.55 -45.58 0.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -38.9 -48.54 1.58 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 153.76 139.86 2.94 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.522 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 79.0 p -120.75 159.77 24.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.868 0.366 . . . . 0.0 110.858 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.23 81.72 1.38 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.604 0.716 . . . . 0.0 110.862 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 138.59 38.27 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.709 2.272 . . . . 0.0 112.329 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.464 ' CE1' ' HA ' ' A' ' 100' ' ' SER . 3.6 p90 -156.05 136.32 13.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.899 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 78.9 t -88.77 149.71 3.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.132 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.0 ttt180 -137.01 134.76 36.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.47 ' HE1' ' CD1' ' A' ' 79' ' ' PHE . 66.2 mtm -119.43 137.96 53.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.863 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -148.5 113.65 5.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.406 HD22 ' NH1' ' A' ' 91' ' ' ARG . 22.1 tp -71.49 88.76 0.92 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.958 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.528 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 88.2 mt -62.64 152.06 82.35 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.611 0.719 . . . . 0.0 110.903 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.6 Cg_endo -69.75 -41.54 0.89 Allowed 'Cis proline' 0 C--N 1.341 0.161 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.336 -0.135 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -45.42 98.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.7 ptpt -128.28 19.56 6.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.884 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -72.12 -177.22 2.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 59' ' ' SER . 27.0 mtm180 -62.39 -47.9 82.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 58' ' ' ARG . 12.9 t -34.97 -55.35 0.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -98.29 45.61 1.64 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.47 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.8 ttp180 -81.62 113.29 19.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.801 0.334 . . . . 0.0 110.857 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.503 ' HG3' ' CD2' ' A' ' 79' ' ' PHE . 8.2 tpp180 -135.48 111.83 9.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.6 pttp -148.97 168.11 23.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 38.4 p -96.91 158.38 15.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -56.15 158.37 4.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.1 p -105.47 119.32 54.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.122 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.5 t -90.67 151.3 21.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.827 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -117.54 159.35 23.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? 48.48 50.81 16.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.4 t -165.98 117.89 1.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.127 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 69.4 mt -74.51 -38.03 62.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -106.43 87.19 2.51 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.598 0.713 . . . . 0.0 110.903 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 156.31 63.75 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.687 2.258 . . . . 0.0 112.308 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 89.0 t -136.49 125.78 37.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.138 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -120.5 -53.48 2.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 59.7 39.96 20.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -113.87 156.3 24.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.965 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 40.1 t -126.75 137.93 53.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.503 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 7.1 m-85 -115.16 167.24 11.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.842 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -145.16 149.13 34.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.844 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -143.11 129.88 20.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 54.9 p -73.04 91.61 1.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.5 p -143.49 132.93 20.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.121 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.48 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 1.0 OUTLIER -76.4 148.3 37.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 -179.843 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.607 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 0.3 OUTLIER -52.15 -44.68 93.23 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.602 0.715 . . . . 0.0 110.91 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.607 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 65.5 Cg_exo -47.98 -42.07 32.25 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.723 2.282 . . . . 0.0 112.303 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 89' ' ' GLN . 0.7 OUTLIER -82.41 -62.26 1.67 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -38.48 -26.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 87' ' ' GLU . 60.6 mt-30 -58.21 -56.26 24.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.2 ptt180 -76.75 -4.2 42.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.406 ' NH1' HD22 ' A' ' 52' ' ' LEU . 32.0 mtt180 -91.77 169.38 10.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 76.7 m -142.01 142.49 32.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.119 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.4 tp -86.09 101.88 13.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -70.9 100.82 2.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 29.7 t -111.75 100.0 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -120.74 116.53 25.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 45.4 t -103.23 106.68 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.414 ' O ' ' CD1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -144.08 -179.5 6.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -77.07 141.54 40.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.464 ' HA ' ' CE1' ' A' ' 47' ' ' TYR . 2.2 t -61.5 105.9 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.861 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -172.03 -141.89 3.55 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.495 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 75.91 103.25 0.12 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.478 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -104.36 -49.79 3.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.887 0.375 . . . . 0.0 110.873 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.75 -59.79 2.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.95 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.0 m -87.18 -174.29 4.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.833 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -77.93 -18.34 56.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.908 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -167.84 122.03 0.96 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 7.0 mmtm -102.49 6.39 40.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -156.99 53.84 0.4 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.492 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.439 ' CD2' ' HB2' ' A' ' 136' ' ' ASP . 18.6 tp -62.75 113.63 3.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.849 0.357 . . . . 0.0 110.952 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.405 ' CD2' HD13 ' A' ' 37' ' ' ILE . 22.1 mt -85.7 -33.46 21.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 176.08 136.57 2.38 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.516 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.21 152.53 49.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.816 0.341 . . . . 0.0 110.944 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 11.8 p -152.29 125.37 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.106 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.415 ' N ' ' CD2' ' A' ' 115' ' ' LEU . 1.3 mm? -94.35 152.23 18.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 86.1 t -131.83 117.43 34.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -74.5 110.28 8.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.103 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 8.5 mt -86.34 28.76 0.81 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.922 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -93.48 27.78 2.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.077 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.5 t -97.62 -176.73 3.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -118.34 -11.56 10.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.54 ' HG3' ' CZ3' ' A' ' 127' ' ' TRP . 10.5 pt-20 -85.87 26.56 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.463 ' CD2' HG22 ' A' ' 17' ' ' ILE . 15.5 mt -84.47 -53.23 5.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 123' ' ' LEU . . . -36.55 -41.69 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.085 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.1 -48.27 10.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 101.5 153.23 25.76 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.53 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . 0.54 ' CZ3' ' HG3' ' A' ' 122' ' ' GLU . 19.1 p90 -145.47 165.42 28.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.861 0.363 . . . . 0.0 110.933 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 62.0 m -135.33 128.53 31.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -160.51 155.32 24.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' TRP . . . . . 0.516 ' CZ2' ' HB2' ' A' ' 14' ' ' GLN . 72.6 m95 -87.16 110.24 20.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -82.62 105.65 13.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -62.93 118.22 7.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 62.4 mt -61.6 143.05 56.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 74.9 p -132.36 144.04 50.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.134 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.06 166.55 13.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . 0.439 ' HB2' ' CD2' ' A' ' 110' ' ' LEU . 33.1 t0 -78.94 82.92 5.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 35.5 p -55.66 -47.06 77.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 109.1 144.68 10.81 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.424 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -22.1 32.61 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.698 2.265 . . . . 0.0 112.317 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 9.6 t -134.64 147.14 50.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.851 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 32.4 t -90.69 122.62 33.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.462 179.96 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.0 t -133.57 105.89 7.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.838 0.351 . . . . 0.0 110.881 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.4 m -95.91 84.24 3.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.66 -138.1 6.8 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.522 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.1 p -60.38 92.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.902 0.382 . . . . 0.0 110.898 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.3 p -117.69 144.19 45.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.82 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.31 -147.59 5.15 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.473 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.2 t -167.89 105.0 0.57 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.701 0.762 . . . . 0.0 110.917 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -22.22 32.41 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.694 2.262 . . . . 0.0 112.277 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.2 mt -85.86 -48.63 8.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.96 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 153.35 -166.92 31.8 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.553 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -147.62 174.31 11.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.767 0.318 . . . . 0.0 110.941 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.4 tt -163.95 132.77 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.484 ' HB2' ' CE2' ' A' ' 130' ' ' TRP . 31.5 tt0 -99.55 115.37 29.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.417 ' CD1' HG13 ' A' ' 95' ' ' VAL . 3.1 mt -133.88 135.57 43.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 88.6 m -98.31 110.77 23.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.2 mt -101.53 123.06 54.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.32 137.86 15.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.845 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.411 ' CE1' ' HA ' ' A' ' 24' ' ' ASN . 5.3 t-80 -125.77 114.19 18.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 24' ' ' ASN . 9.1 t -77.9 126.25 30.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 93.6 p -67.35 -39.7 85.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.843 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 -68.96 -47.43 65.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.449 ' O ' ' CG ' ' A' ' 24' ' ' ASN . 5.4 mmt180 -83.39 -16.25 46.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.48 ' N ' ' O ' ' A' ' 20' ' ' SER . 3.3 p30 46.25 52.91 10.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.937 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.2 mttt -135.48 148.55 49.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.8 tp -102.67 111.05 23.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.925 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.449 HG22 ' N ' ' A' ' 28' ' ' VAL . 3.9 mp -99.45 136.11 31.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.449 ' N ' HG22 ' A' ' 27' ' ' ILE . 45.9 t -140.16 112.05 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.149 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.438 HG11 ' N ' ' A' ' 30' ' ' VAL . 10.9 t -95.69 150.79 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.129 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.438 ' N ' HG11 ' A' ' 29' ' ' VAL . 3.3 t -132.63 83.86 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -51.13 -74.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -173.33 158.39 3.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.103 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 58.6 m -105.74 166.15 10.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 33.9 ptt180 -152.95 164.61 37.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 51.66 54.13 11.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 82.8 mt -107.56 98.83 8.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.5 pp -55.83 143.65 8.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -108.22 139.0 43.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -53.25 -25.85 15.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 41' ' ' GLU . 43.6 t -148.18 119.84 8.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 42' ' ' ASP . 48.8 tp10 -35.36 -46.24 0.36 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.901 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 41' ' ' GLU . 65.2 m-20 -34.46 -47.23 0.3 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 145.68 155.79 6.62 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.483 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.3 m -140.25 172.02 13.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.882 0.372 . . . . 0.0 110.858 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.97 83.26 14.45 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.611 0.719 . . . . 0.0 110.864 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 141.48 45.14 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.667 2.245 . . . . 0.0 112.331 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.5 p90 -152.11 140.26 20.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.461 HG12 ' N ' ' A' ' 49' ' ' ARG . 72.2 t -90.1 150.56 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.151 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.461 ' N ' HG12 ' A' ' 48' ' ' VAL . 15.2 ttm180 -132.36 148.05 52.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 58.2 mtm -137.37 120.93 17.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -136.66 111.98 9.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 49.0 tp -67.44 93.9 0.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.525 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 48.3 mt -70.22 154.31 94.63 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.605 0.716 . . . . 0.0 110.94 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.9 Cg_endo -69.74 -45.23 0.43 Allowed 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.752 -1.77 . . . . 0.0 112.335 -0.088 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -42.74 91.02 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 54' ' ' PRO . 20.9 pttt -121.33 20.8 11.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 50.2 mtt-85 -47.78 165.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.5 ptt180 -90.62 33.65 0.91 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 51.7 m -101.88 -61.34 1.4 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -93.9 37.54 3.38 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.499 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 26.1 ttp180 -56.57 136.14 54.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.788 0.327 . . . . 0.0 110.904 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.5 tpp180 -137.0 108.93 7.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -141.28 170.93 14.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 45.1 p -98.28 168.03 10.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -54.13 163.06 0.86 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 91.7 t -105.66 102.74 14.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.2 m -71.49 141.6 50.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 52.9 mttt -121.52 159.87 25.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp 51.01 52.11 15.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.6 t -173.32 141.47 0.92 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.16 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 26.3 mt -97.79 -13.17 21.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -124.76 83.04 59.51 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.631 0.729 . . . . 0.0 110.868 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 147.67 63.11 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.627 2.218 . . . . 0.0 112.35 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 45.9 t -132.47 114.6 23.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -107.87 -46.64 3.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.6 t70 55.65 29.94 14.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -103.71 151.75 22.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 38.6 t -124.07 138.96 54.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.439 ' CD1' ' N ' ' A' ' 79' ' ' PHE . 3.6 m-85 -117.2 171.53 7.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -149.9 149.05 29.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -140.54 124.69 17.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 70.9 p -71.82 92.33 1.22 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.856 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.4 p -143.38 134.53 22.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.17 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.483 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 1.0 OUTLIER -74.13 148.68 41.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 -179.838 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.616 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 3.0 tp -53.77 -44.11 97.43 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.616 0.722 . . . . 0.0 110.912 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 65.4 Cg_exo -48.07 -35.19 25.23 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.66 2.24 . . . . 0.0 112.366 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -88.92 -58.04 2.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 1.3 p -45.99 -30.43 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.402 ' CD ' ' HG ' ' A' ' 85' ' ' LEU . 73.0 mt-30 -59.32 -60.68 3.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 -69.72 -3.35 14.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 88.6 mtt-85 -97.11 -179.23 4.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 77.7 m -150.34 136.61 18.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.13 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.4 tp -84.47 104.96 14.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.404 ' HB2' ' CD1' ' A' ' 53' ' ' LEU . 12.3 t0 -75.34 97.02 3.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.417 HG13 ' CD1' ' A' ' 15' ' ' LEU . 17.3 t -106.67 102.73 14.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.137 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -128.71 133.24 48.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.096 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 78.9 t -104.75 101.55 12.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.116 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -106.45 -177.37 3.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -121.1 117.04 26.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 48.4 t -68.77 134.41 49.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.83 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -88.14 128.15 8.92 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.437 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -49.7 -99.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -91.57 24.52 3.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.855 0.36 . . . . 0.0 110.902 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -103.05 176.99 4.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 106' ' ' LYS . 61.9 p -109.02 172.99 6.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 105' ' ' SER . 10.8 ptmt -34.66 146.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.905 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -151.96 134.24 15.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.814 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 13.0 mtpp -84.07 21.69 1.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -79.48 63.24 3.99 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.51 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.1 tp -60.36 147.25 41.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.855 0.359 . . . . 0.0 110.927 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 14.8 mt -108.16 -45.53 3.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -166.38 144.57 9.24 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.504 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.434 ' CA ' HD21 ' A' ' 133' ' ' LEU . 4.9 ptmm? -150.6 154.67 37.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.785 0.326 . . . . 0.0 110.931 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 11.3 p -157.06 124.61 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.122 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.492 ' CD2' ' N ' ' A' ' 115' ' ' LEU . 1.5 mm? -91.63 156.94 17.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 81.3 t -139.14 123.78 20.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -78.0 110.96 13.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.9 mt -84.23 20.09 1.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -87.44 23.44 1.9 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.088 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.2 m -97.51 147.76 23.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -85.96 -14.24 45.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -70.17 -5.77 29.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 11.5 mt -55.76 -36.73 67.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.945 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -47.68 -38.25 14.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.101 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -94.35 -59.86 1.86 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 113.32 148.14 10.08 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 26.8 p90 -136.85 157.29 47.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.814 0.34 . . . . 0.0 110.937 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 85.6 m -132.65 126.97 33.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.123 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.411 ' CG ' ' CE1' ' A' ' 131' ' ' TYR . 16.8 pt20 -158.92 158.92 34.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' TRP . . . . . 0.484 ' CE2' ' HB2' ' A' ' 14' ' ' GLN . 72.1 m95 -86.85 99.57 11.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 0.411 ' CE1' ' CG ' ' A' ' 129' ' ' GLN . 21.1 m-85 -67.45 102.11 1.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.46 ' N ' ' OD1' ' A' ' 132' ' ' ASP . 0.2 OUTLIER -63.18 114.01 3.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 179.905 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.434 HD21 ' CA ' ' A' ' 113' ' ' LYS . 77.2 mt -61.89 143.08 56.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 77.1 p -127.05 173.28 9.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -79.02 161.78 26.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 10.4 p30 -82.66 84.73 7.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 55.3 m -50.25 -51.9 40.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 137.53 86.98 0.18 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.511 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -24.95 28.91 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.686 2.258 . . . . 0.0 112.308 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 7.6 t -134.23 117.17 16.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.912 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 4.7 t -66.43 152.7 44.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.817 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.507 179.982 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.446 -0.261 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 p -126.1 24.35 6.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 0.0 110.827 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.1 m -153.22 122.54 6.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.15 141.56 3.37 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.472 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m 49.3 38.53 13.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.869 0.366 . . . . 0.0 110.892 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 t -88.7 155.29 19.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.86 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.53 58.83 0.24 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.484 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.8 t -124.05 117.82 26.96 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.661 0.743 . . . . 0.0 110.886 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -26.88 26.98 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.652 2.235 . . . . 0.0 112.353 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 89.6 mt -80.09 -51.88 8.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 152.3 -173.92 31.33 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.485 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -141.92 178.58 7.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.811 0.339 . . . . 0.0 110.895 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.6 tt -166.77 134.25 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.556 ' HB2' ' CZ2' ' A' ' 130' ' ' TRP . 22.2 tt0 -99.47 114.69 27.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.453 ' CD1' HG11 ' A' ' 95' ' ' VAL . 40.5 mt -131.16 127.84 38.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.0 m -97.12 102.86 14.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 80.5 mt -96.55 125.11 49.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.13 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -155.66 116.05 3.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 -97.62 106.29 18.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 24' ' ' ASN . 2.3 m -69.06 125.58 27.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 71.7 p -66.85 -55.05 16.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -55.47 -43.81 75.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.459 ' O ' ' CG ' ' A' ' 24' ' ' ASN . 32.8 mmt180 -84.96 -17.72 36.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 20' ' ' SER . 5.3 p-10 46.67 43.89 13.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.8 mttt -126.33 156.73 39.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 19.6 tp -101.34 102.67 13.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.921 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.8 mp -92.53 130.09 42.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 40.6 t -136.73 106.15 4.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.9 t -94.04 138.16 21.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 19.2 t -117.26 96.61 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -63.08 -74.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.461 ' HB1' ' CB ' ' A' ' 74' ' ' VAL . . . -172.03 162.16 5.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.083 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 32.7 m -106.4 167.96 9.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 23.6 ptt180 -155.59 148.0 23.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 60.73 53.39 3.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.464 ' O ' ' C ' ' A' ' 37' ' ' ILE . 55.5 mt -99.41 88.02 3.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.464 ' C ' ' O ' ' A' ' 36' ' ' LEU . 2.7 pp -32.67 141.86 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 39' ' ' PHE . . . -114.78 113.64 24.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.08 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' A' ' 38' ' ' ALA . 3.4 t80 -38.27 -36.02 0.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 41.1 t -139.21 122.16 16.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -42.4 -28.73 0.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -52.86 -43.12 65.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 146.34 131.09 2.2 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.534 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.1 m -110.14 175.12 5.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.902 0.382 . . . . 0.0 110.849 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -114.4 78.33 4.69 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.572 0.701 . . . . 0.0 110.885 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 134.16 27.37 Favored 'Trans proline' 0 C--O 1.23 0.123 0 C-N-CA 122.679 2.253 . . . . 0.0 112.367 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.412 ' CB ' ' HB ' ' A' ' 66' ' ' VAL . 2.2 p90 -160.89 136.36 7.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 29.9 t -87.96 159.56 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.161 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.4 ttm180 -145.16 130.11 18.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 64.2 mtm -113.89 142.48 46.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.521 ' CZ ' ' HG3' ' A' ' 61' ' ' ARG . 9.4 m-85 -151.18 127.61 10.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.2 tp -84.02 89.11 7.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.518 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 4.1 mm? -66.92 156.05 88.42 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.602 0.715 . . . . 0.0 110.947 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.5 Cg_endo -69.8 -47.56 0.31 Allowed 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.674 -1.802 . . . . 0.0 112.322 -0.099 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 54' ' ' PRO . 6.7 m-20 -36.69 121.61 0.76 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.83 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.4 mtpp -118.59 29.05 7.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.921 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 16.1 mmp_? -45.92 136.39 6.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.404 ' C ' ' HD2' ' A' ' 58' ' ' ARG . 6.5 ppt_? -93.2 -18.73 22.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.8 p -70.51 -18.28 62.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -127.59 23.4 5.39 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.501 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.521 ' HG3' ' CZ ' ' A' ' 51' ' ' TYR . 0.8 OUTLIER -71.67 150.84 44.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.842 0.354 . . . . 0.0 110.844 -179.848 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -137.62 109.77 7.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.1 pttp -126.94 171.26 11.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 67.1 p -97.33 163.98 12.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.413 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 80.9 m-70 -62.08 158.35 16.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.412 ' HB ' ' CB ' ' A' ' 47' ' ' TYR . 2.3 p -111.28 116.4 52.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.075 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.1 m -98.43 115.46 28.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -85.77 157.33 20.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 42.7 mmtt 61.24 54.89 3.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.0 t -175.07 144.15 0.73 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.481 HD11 ' N ' ' A' ' 71' ' ' LEU . 7.2 mp -104.55 -23.07 13.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.931 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -118.13 67.65 6.6 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.647 0.737 . . . . 0.0 110.936 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 164.99 32.47 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.663 2.242 . . . . 0.0 112.34 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.461 ' CB ' ' HB1' ' A' ' 32' ' ' ALA . 4.8 p -149.25 136.12 12.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.436 ' N ' HG23 ' A' ' 74' ' ' VAL . 1.9 m-85 -123.58 -34.37 3.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.4 t70 50.39 38.17 17.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -105.6 148.91 26.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 27.5 t -124.53 133.69 53.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.443 ' CD1' ' N ' ' A' ' 79' ' ' PHE . 3.6 m-85 -115.85 169.34 9.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -153.57 148.01 26.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -139.31 131.68 28.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 51.5 p -73.44 92.37 1.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 6.7 p -143.44 135.02 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.123 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.481 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 0.9 OUTLIER -75.36 149.66 38.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 -179.804 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.605 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 4.6 tp -52.81 -44.72 96.74 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.631 0.729 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 64.1 Cg_exo -47.96 -41.0 33.31 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.705 2.27 . . . . 0.0 112.323 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -82.37 -57.82 3.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.421 ' CG2' HD12 ' A' ' 118' ' ' LEU . 0.9 OUTLIER -48.86 -30.15 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.117 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -55.98 -55.62 30.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 18.0 ptt180 -72.59 -22.81 60.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 49.0 mtt180 -74.9 173.31 10.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.409 HG22 ' N ' ' A' ' 93' ' ' LEU . 25.2 m -143.14 142.08 31.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.409 ' N ' HG22 ' A' ' 92' ' ' THR . 3.0 tp -87.65 101.31 13.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.923 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.458 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -75.62 97.6 3.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.824 179.879 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.453 HG11 ' CD1' ' A' ' 15' ' ' LEU . 16.4 t -107.65 100.95 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -121.96 131.79 54.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.079 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 86.3 t -113.96 101.52 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 8.0 pttp -130.67 -177.81 4.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -86.13 124.92 33.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.6 t -49.56 -38.33 30.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 167.8 -162.44 36.22 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.473 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -178.27 -59.42 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.442 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.454 ' CG ' ' N ' ' A' ' 104' ' ' LEU . 47.8 t80 -77.03 168.53 19.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.86 0.362 . . . . 0.0 110.895 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.454 ' N ' ' CG ' ' A' ' 103' ' ' PHE . 81.7 mt -49.86 -57.44 7.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 65.8 m -79.4 163.82 24.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 25.6 mmmt -62.43 172.17 1.65 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -156.6 150.8 25.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 20.6 mmtp -108.08 16.83 23.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -52.78 91.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.448 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 11.1 tp -86.44 121.43 28.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 0.0 110.938 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 24.7 mt -83.57 -56.06 3.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -160.5 154.28 25.28 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.473 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -155.95 159.38 39.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.834 0.35 . . . . 0.0 110.839 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 11.1 p -150.66 137.85 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -101.2 148.19 25.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 53.3 t -133.09 123.28 47.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -80.91 111.36 17.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.421 HD12 ' CG2' ' A' ' 88' ' ' VAL . 25.1 mt -84.73 20.05 1.88 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -89.64 22.96 2.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.084 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 30.5 t -101.48 147.79 25.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -80.6 -31.75 36.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.865 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -46.07 -22.61 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 18.0 mt -45.08 -45.6 11.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -40.66 -34.95 0.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -103.03 -46.82 4.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 102.43 157.77 25.88 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.48 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 29.0 p90 -146.02 154.66 42.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.846 0.355 . . . . 0.0 110.932 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 87.6 m -125.22 128.51 48.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.127 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -161.95 155.9 21.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' TRP . . . . . 0.556 ' CZ2' ' HB2' ' A' ' 14' ' ' GLN . 86.8 m95 -88.88 107.09 18.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.952 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -76.96 105.11 7.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.909 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.421 ' O ' ' CG ' ' A' ' 132' ' ' ASP . 0.8 OUTLIER -62.99 116.26 5.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.872 179.888 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 87.9 mt -65.39 124.55 22.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 73.3 p -115.74 165.0 13.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -70.59 155.57 40.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -48.75 118.2 2.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 3.1 t -100.28 43.67 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -108.86 166.62 12.78 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.432 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -36.2 11.21 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.626 2.217 . . . . 0.0 112.373 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 24.3 m -143.75 150.54 38.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 62.4 m -89.64 177.01 6.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.505 180.0 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 m -152.54 151.31 30.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.893 0.378 . . . . 0.0 110.835 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.9 m -58.48 116.56 3.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.847 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.35 133.96 12.29 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.513 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 t -100.51 -51.8 3.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.903 0.382 . . . . 0.0 110.866 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 t -111.26 154.28 24.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.842 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.08 146.29 7.3 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.439 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 79.1 p -133.12 81.69 56.13 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.664 0.745 . . . . 0.0 110.871 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -25.41 28.47 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.698 2.265 . . . . 0.0 112.34 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 89.9 mt -92.71 -42.88 9.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 155.11 -179.54 31.05 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.473 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -140.48 158.62 43.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.759 0.314 . . . . 0.0 110.93 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.0 tt -150.59 138.62 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.077 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.481 ' HB2' ' CE2' ' A' ' 130' ' ' TRP . 38.3 tt0 -107.96 112.05 24.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.914 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.9 mt -127.79 136.1 51.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.977 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 90.6 m -102.4 109.48 21.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.17 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.9 mt -98.75 126.51 51.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -155.13 112.63 3.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.501 ' CE1' ' HB2' ' A' ' 85' ' ' LEU . 27.1 t-80 -103.39 102.42 12.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.0 t -70.05 143.36 52.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.829 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 76.6 p -85.84 -45.58 11.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.846 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.0 pm0 -60.06 -21.26 61.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -112.01 -26.16 9.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.2 m120 59.0 42.9 18.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.5 mttt -123.57 164.36 19.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.8 tp -115.84 102.11 9.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.949 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.444 ' N ' HD13 ' A' ' 27' ' ' ILE . 4.3 mp -91.23 131.94 37.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.4 t -136.51 106.12 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.427 HG12 ' N ' ' A' ' 30' ' ' VAL . 42.2 t -90.29 140.24 16.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.427 ' N ' HG12 ' A' ' 29' ' ' VAL . 35.8 t -119.57 92.8 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.17 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -58.27 -74.94 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -175.03 157.92 2.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.063 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 57.6 m -107.47 169.14 8.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 23.5 ptt180 -162.39 174.67 12.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 48.64 50.32 17.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 74.0 mt -100.47 86.94 3.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.8 pp -40.55 135.12 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.02 142.88 27.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.106 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -51.81 -41.73 61.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.8 t -128.91 21.66 5.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 46.47 29.87 0.97 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -113.54 -37.43 4.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 153.51 108.27 0.34 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.491 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.8 m -111.4 172.67 6.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.868 0.366 . . . . 0.0 110.851 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.19 76.89 0.65 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.605 0.717 . . . . 0.0 110.86 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 136.85 34.13 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.669 2.246 . . . . 0.0 112.361 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -156.81 145.98 20.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 94.6 t -92.27 149.83 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.09 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.58 133.07 34.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.834 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.501 ' HE2' ' CD1' ' A' ' 79' ' ' PHE . 75.9 mtm -121.02 144.62 48.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -155.16 122.47 5.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.453 ' HG ' ' CZ ' ' A' ' 91' ' ' ARG . 8.4 tp -75.67 85.74 2.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.875 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.529 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 51.4 mt -64.92 150.99 94.19 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.63 0.729 . . . . 0.0 110.907 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 54.1 Cg_endo -69.74 -36.77 2.21 Favored 'Cis proline' 0 C--O 1.231 0.151 0 C-N-CA 122.727 -1.781 . . . . 0.0 112.393 -0.132 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 54' ' ' PRO . 10.6 t70 -33.3 119.6 0.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.1 mmtt -120.52 1.79 10.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 58.0 mtt180 -39.19 123.8 1.42 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.63 -12.82 61.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.1 t -62.76 -47.81 81.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -96.59 34.42 5.02 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.486 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.9 ttp-105 -72.66 137.0 45.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.794 0.33 . . . . 0.0 110.887 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.475 ' HG3' ' CE2' ' A' ' 81' ' ' PHE . 18.3 mmm180 -137.73 108.76 6.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.4 pttt -141.39 169.32 17.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 22.2 p -99.18 154.88 17.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.149 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 21.4 p-80 -54.24 152.89 5.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.828 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.0 p -102.62 122.35 54.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.095 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.0 m -90.06 152.79 20.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 17.2 mtpt -117.34 144.96 44.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.1 mptt 61.91 50.29 4.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.4 t -162.79 137.31 6.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.174 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.448 HD11 ' N ' ' A' ' 71' ' ' LEU . 1.6 mp -93.96 -29.55 15.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.953 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -112.98 79.16 3.3 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.609 0.718 . . . . 0.0 110.907 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 144.38 53.77 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.658 2.238 . . . . 0.0 112.376 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.445 HG11 ' N ' ' A' ' 75' ' ' PHE . 91.8 t -117.46 139.73 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.147 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.445 ' N ' HG11 ' A' ' 74' ' ' VAL . 3.0 m-85 -133.02 -52.2 0.9 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.6 t70 54.68 32.33 17.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -103.03 151.2 22.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 31.3 t -121.74 134.01 54.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.501 ' CD1' ' HE2' ' A' ' 50' ' ' MET . 32.7 m-85 -115.1 169.79 8.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -153.19 148.45 26.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.854 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.475 ' CE2' ' HG3' ' A' ' 62' ' ' ARG . 12.3 m-85 -139.19 125.04 19.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 36.1 p -72.93 89.66 1.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.855 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.8 p -143.64 135.3 23.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.14 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.439 ' C ' ' HD2' ' A' ' 86' ' ' PRO . 0.9 OUTLIER -73.77 144.03 45.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.834 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.597 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 4.0 tp -51.95 -44.69 92.22 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.595 0.712 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 66.3 Cg_exo -48.01 -33.64 21.06 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.706 2.271 . . . . 0.0 112.314 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -88.55 -59.02 2.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 1.8 p -48.78 -33.83 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.474 ' HG3' ' CD1' ' A' ' 85' ' ' LEU . 14.2 mt-30 -53.03 -43.8 66.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.941 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 10.9 ptt180 -90.17 13.52 14.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.453 ' CZ ' ' HG ' ' A' ' 52' ' ' LEU . 45.2 mtp180 -115.27 179.43 3.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.403 HG22 ' N ' ' A' ' 93' ' ' LEU . 21.2 m -144.49 145.73 32.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.153 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.403 ' N ' HG22 ' A' ' 92' ' ' THR . 3.7 tp -93.2 105.05 17.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -70.74 100.04 1.81 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.879 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 18.6 t -115.71 102.8 14.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.107 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.463 ' HB1' ' CE ' ' A' ' 98' ' ' LYS . . . -125.64 129.83 50.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.121 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 96.1 t -108.48 103.08 14.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.158 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.463 ' CE ' ' HB1' ' A' ' 96' ' ' ALA . 3.0 ptpt -135.52 177.98 7.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -80.09 131.13 35.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.929 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 101' ' ' GLY . 14.6 t -56.14 -60.68 3.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 102' ' ' GLY . . . 37.37 -107.89 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.48 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 101' ' ' GLY . . . -37.01 108.28 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.519 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -87.49 -23.87 24.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.927 0.394 . . . . 0.0 110.905 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.449 ' N ' HD21 ' A' ' 104' ' ' LEU . 4.0 mm? -103.2 25.31 9.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 45.9 m -145.05 -175.0 4.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -95.74 -30.14 13.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.907 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -175.07 147.15 0.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -116.06 -29.78 6.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -151.56 115.33 0.69 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.508 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 7.2 tp -79.93 115.01 19.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.87 0.367 . . . . 0.0 110.902 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 46.9 mt -87.63 -38.07 16.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.422 ' C ' ' HB3' ' A' ' 133' ' ' LEU . . . 177.83 123.65 0.81 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.435 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -127.85 163.3 24.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.836 0.351 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 12.6 p -157.26 131.34 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.156 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -100.61 138.13 38.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.95 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 85.7 t -120.26 129.58 75.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.175 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -85.59 114.07 22.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 6.8 mt -89.93 24.5 2.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -90.85 15.79 10.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.07 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.1 m -97.46 158.79 15.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 123' ' ' LEU . 0.6 OUTLIER -85.47 -33.65 21.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.915 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -38.67 -28.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 121' ' ' GLU . 25.6 mt -45.12 -48.53 12.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.927 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 123' ' ' LEU . . . -35.83 -34.98 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 123' ' ' LEU . 45.3 mttp -105.93 -39.05 6.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 93.46 153.35 30.18 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.483 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 30.7 p90 -147.09 166.53 26.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.856 0.36 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 41.4 m -140.78 133.58 28.96 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.165 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.493 ' CG ' ' CE1' ' A' ' 131' ' ' TYR . 12.1 pt20 -161.53 159.36 27.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' TRP . . . . . 0.481 ' CE2' ' HB2' ' A' ' 14' ' ' GLN . 75.1 m95 -85.91 101.27 12.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 0.493 ' CE1' ' CG ' ' A' ' 129' ' ' GLN . 30.1 m-85 -76.28 104.04 6.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -65.65 117.77 8.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.824 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.422 ' HB3' ' C ' ' A' ' 112' ' ' GLY . 11.9 mt -63.53 144.08 57.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 71.9 p -130.8 173.6 10.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.154 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -75.42 156.93 34.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -58.88 -59.51 5.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.8 m -116.06 150.91 36.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -132.64 -93.01 0.54 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.466 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 116.92 4.78 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.719 2.279 . . . . 0.0 112.345 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 3.7 m -99.2 101.76 13.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 5.1 t -121.89 -53.4 1.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.501 -179.97 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -64.97 155.67 33.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.809 0.338 . . . . 0.0 110.909 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.1 t 63.88 42.07 6.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.79 142.47 16.82 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.528 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.9 t -126.75 97.98 5.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.904 0.383 . . . . 0.0 110.836 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -84.77 78.31 9.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.872 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.05 98.37 0.14 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.461 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 77.3 p -126.62 108.89 22.99 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.671 0.748 . . . . 0.0 110.835 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -19.79 35.41 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.64 2.227 . . . . 0.0 112.355 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 62.1 mt -91.47 -43.12 9.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 143.09 -168.46 26.06 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -147.25 164.63 32.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.821 0.343 . . . . 0.0 110.881 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.0 tt -152.65 135.17 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.515 ' HB2' ' CE2' ' A' ' 130' ' ' TRP . 10.0 tt0 -100.64 122.26 43.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.8 mt -135.17 123.75 23.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.4 m -89.05 98.0 11.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.136 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 11.9 mt -96.57 110.91 25.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.145 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.0 ttt180 -142.57 110.73 6.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.511 ' CE1' ' HA ' ' A' ' 24' ' ' ASN . 6.0 t-80 -98.01 119.37 36.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.478 ' O ' ' CE1' ' A' ' 19' ' ' HIS . 4.7 t -75.09 145.32 42.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 37.1 p -79.36 -55.18 5.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -60.61 -41.41 94.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.0 mtt-85 -84.13 -19.32 34.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.511 ' HA ' ' CE1' ' A' ' 19' ' ' HIS . 10.2 m120 45.11 48.8 9.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.7 mttt -128.83 147.68 50.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.9 tp -103.98 109.9 21.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.438 ' N ' HD13 ' A' ' 27' ' ' ILE . 4.9 mp -103.06 139.59 23.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.435 ' N ' HG21 ' A' ' 27' ' ' ILE . 21.1 t -135.95 113.08 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.173 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.4 t -100.66 130.23 50.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 26.4 t -110.86 96.68 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -61.58 -72.76 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.427 ' HB1' ' CB ' ' A' ' 74' ' ' VAL . . . -171.01 154.39 4.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.145 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 46.9 m -107.71 152.03 24.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.7 ptt180 -141.5 164.18 30.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 61.9 47.89 5.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.6 mt -106.33 99.28 8.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.411 ' C ' HD11 ' A' ' 37' ' ' ILE . 2.5 pp -61.37 135.1 26.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.137 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -94.8 129.52 41.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -45.95 -25.15 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.6 t -152.29 127.31 9.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -39.53 -41.68 1.04 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -38.29 -46.41 1.09 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 134.72 140.67 4.29 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.476 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.4 m -124.59 175.24 7.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.885 0.374 . . . . 0.0 110.84 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -115.76 86.46 15.98 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.63 0.729 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 139.96 41.39 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.675 2.25 . . . . 0.0 112.324 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -149.31 134.47 18.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 59.7 t -84.53 144.18 10.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.142 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.6 ttt180 -125.22 145.16 50.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.447 ' HE3' ' CG ' ' A' ' 79' ' ' PHE . 63.4 mtm -135.12 122.43 21.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.409 ' CE1' ' HB2' ' A' ' 61' ' ' ARG . 4.4 m-85 -135.05 122.5 21.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.8 tp -76.19 93.04 3.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.525 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 80.4 mt -71.21 154.49 93.82 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.6 0.714 . . . . 0.0 110.92 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 54.0 Cg_endo -69.72 -42.51 0.74 Allowed 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.351 -0.191 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 54' ' ' PRO . 19.5 m-20 -33.8 116.79 0.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 57' ' ' ARG . 24.2 mtmm -119.34 15.09 13.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 56' ' ' LYS . 17.5 mmm180 -34.0 117.84 0.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 84.3 mtm-85 -85.64 32.95 0.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.868 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 45.8 m -108.87 -42.38 4.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.825 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -110.51 29.57 8.95 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.499 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.409 ' HB2' ' CE1' ' A' ' 51' ' ' TYR . 21.1 ptt180 -47.98 150.49 1.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.786 0.327 . . . . 0.0 110.873 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -133.86 121.92 22.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -146.57 171.05 15.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.919 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 43.2 p -96.31 172.2 8.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.166 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -57.73 158.46 6.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 75.2 t -103.98 105.23 18.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.0 m -82.41 149.29 27.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 57.5 mttt -123.77 163.21 21.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.8 mptt 48.03 41.63 15.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.865 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.7 t -160.94 140.22 10.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.11 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 45.6 mt -97.88 -33.33 11.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -108.13 80.18 1.04 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.599 0.714 . . . . 0.0 110.926 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 162.67 41.17 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.7 2.267 . . . . 0.0 112.35 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.427 ' CB ' ' HB1' ' A' ' 32' ' ' ALA . 3.6 p -150.74 109.09 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.083 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -106.74 -26.57 11.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.3 t0 43.92 31.85 0.55 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -86.93 159.64 18.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 26.9 t -130.98 118.46 20.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.789 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.447 ' CG ' ' HE3' ' A' ' 50' ' ' MET . 12.9 m-85 -101.51 167.25 10.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -146.83 155.69 42.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -149.95 123.5 9.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 36.9 p -69.47 88.6 0.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.42 ' O ' ' NE2' ' A' ' 19' ' ' HIS . 3.3 p -143.87 133.77 20.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.094 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.476 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 0.8 OUTLIER -73.83 147.1 43.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.909 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.613 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 8.1 tp -53.86 -43.76 97.0 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.572 0.701 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 65.9 Cg_exo -47.95 -32.39 17.77 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.745 2.297 . . . . 0.0 112.328 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -90.99 -61.01 1.76 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -43.03 -34.2 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.115 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -50.66 -56.12 13.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.2 mtt-85 -69.94 -33.53 72.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 87.8 mtt-85 -66.87 170.3 6.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 28.6 m -137.32 144.21 42.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.111 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.0 tp -88.18 110.03 20.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.939 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -83.08 98.99 9.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 9.8 t -112.48 111.22 35.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -133.39 123.27 25.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.063 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 43.8 t -101.59 105.08 17.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.102 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.1 pttt -128.98 176.7 7.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 34.1 p-10 -86.53 122.67 30.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 32.6 p -51.54 121.98 7.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.836 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 115.45 -169.66 12.99 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.466 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.55 53.19 1.35 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.447 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.444 ' O ' ' CD2' ' A' ' 103' ' ' PHE . 23.4 p90 -120.25 69.93 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.859 0.362 . . . . 0.0 110.87 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -103.63 -59.13 1.77 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.461 ' O ' ' C ' ' A' ' 106' ' ' LYS . 2.2 m -154.79 105.64 2.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.838 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 105' ' ' SER . 15.4 ptmt 33.05 53.29 0.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.63 147.63 30.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.462 ' O ' ' C ' ' A' ' 109' ' ' GLY . 0.0 OUTLIER -117.09 -36.89 3.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.462 ' C ' ' O ' ' A' ' 108' ' ' LYS . . . 32.9 87.43 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.519 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 11.7 tp -118.05 116.6 27.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.825 0.345 . . . . 0.0 110.957 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 60.8 mt -61.57 -50.1 73.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -176.15 136.83 3.41 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.477 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -128.95 150.1 50.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.771 0.32 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 13.6 p -141.83 119.16 7.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.158 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -84.11 149.25 26.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.52 HG23 ' CE2' ' A' ' 131' ' ' TYR . 50.4 t -131.96 107.42 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.59 101.23 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.413 ' O ' ' CD1' ' A' ' 123' ' ' LEU . 53.7 mt -65.46 -7.91 16.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -82.62 37.43 0.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.7 m -79.13 -4.38 50.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 48.36 25.5 0.91 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -133.75 3.27 3.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.413 ' CD1' ' O ' ' A' ' 118' ' ' LEU . 10.3 mt -57.41 -13.38 3.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -68.62 -23.55 64.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.064 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -102.63 -46.23 4.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 95.16 141.46 11.75 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.469 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 27.5 p90 -140.9 156.28 46.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.82 0.343 . . . . 0.0 110.937 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 90.6 m -131.27 112.47 12.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.158 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.509 ' CG ' ' CE1' ' A' ' 131' ' ' TYR . 8.1 pt20 -142.7 163.45 32.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' TRP . . . . . 0.515 ' CE2' ' HB2' ' A' ' 14' ' ' GLN . 41.0 m95 -93.47 98.86 11.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 0.52 ' CE2' HG23 ' A' ' 116' ' ' VAL . 19.3 m-85 -68.7 105.28 2.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.923 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -67.34 122.96 19.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.901 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 60.6 mt -64.95 149.85 49.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 62.0 p -142.41 168.96 18.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -67.47 156.17 37.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 137' ' ' SER . 13.7 p-10 -79.02 -45.84 19.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 136' ' ' ASP . 25.6 t -34.43 122.85 0.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.821 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -163.8 86.01 0.1 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.485 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 152.67 69.29 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.649 2.233 . . . . 0.0 112.36 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 96.0 p 44.67 36.06 1.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.883 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 60.7 p -45.86 -46.56 15.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.861 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.483 179.985 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -91.61 51.11 1.81 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.827 0.346 . . . . 0.0 110.839 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.9 m -119.96 141.17 49.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.32 39.27 1.64 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -106.39 142.45 36.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.89 0.376 . . . . 0.0 110.862 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.0 t -120.84 43.25 2.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.849 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.08 178.66 36.95 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.484 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.417 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . 86.5 p -134.79 103.05 11.05 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.687 0.756 . . . . 0.0 110.886 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 8' ' ' SER . 54.3 Cg_endo -69.68 -30.37 22.77 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.688 2.259 . . . . 0.0 112.367 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.1 mt -77.96 -47.16 19.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.945 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 140.78 179.62 18.38 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.449 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -130.65 -176.96 4.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.757 0.313 . . . . 0.0 110.956 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 9.1 tt -168.32 146.03 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.166 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.405 ' HB2' ' CE2' ' A' ' 130' ' ' TRP . 29.0 tt0 -112.55 120.22 40.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.7 mt -132.56 123.68 26.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 94.4 m -91.13 106.56 18.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 14.4 mt -98.8 122.04 50.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.157 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 64.4 ttt-85 -150.04 108.22 3.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -97.89 111.32 23.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.835 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.8 t -73.68 120.63 19.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.861 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 78.3 p -71.07 -16.4 62.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.826 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -87.9 -40.23 14.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -89.52 -20.88 23.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.9 m120 61.72 37.5 15.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -124.4 163.21 22.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.1 tp -116.19 106.69 13.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.2 mp -93.81 138.56 20.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.1 t -142.38 111.68 2.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.097 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 38.7 t -94.32 119.49 42.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.1 t -95.31 73.7 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -40.51 -74.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -175.06 166.91 3.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.111 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 66.0 m -120.96 151.15 40.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.0 ptt180 -140.61 168.33 20.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 58.48 47.56 13.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 58.4 mt -104.37 100.86 10.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.434 ' O ' ' CD1' ' A' ' 37' ' ' ILE . 2.8 pp -59.41 128.66 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.41 124.69 34.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.089 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -47.08 -22.28 0.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.6 t -147.52 142.15 26.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.832 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 42' ' ' ASP . 12.7 pt-20 -56.48 -49.44 74.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.43 ' N ' ' HG3' ' A' ' 41' ' ' GLU . 0.5 OUTLIER -36.8 -44.8 0.5 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 146.41 153.09 5.79 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.536 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.2 m -133.66 159.77 39.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.89 0.376 . . . . 0.0 110.84 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.1 83.55 2.33 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.623 0.725 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 153.97 68.04 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.677 2.251 . . . . 0.0 112.311 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -167.17 138.41 3.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 67.0 t -91.5 151.9 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.115 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -135.45 140.82 45.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 61.0 mtm -123.87 127.4 47.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.528 ' CE1' ' HB2' ' A' ' 61' ' ' ARG . 7.3 m-85 -136.22 122.94 21.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.8 tp -78.43 98.98 6.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.939 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.525 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 78.9 mt -75.01 154.58 86.68 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.62 0.724 . . . . 0.0 110.912 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.5 Cg_endo -69.75 -38.17 1.72 Allowed 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.643 -1.815 . . . . 0.0 112.348 -0.153 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.462 ' C ' ' O ' ' A' ' 54' ' ' PRO . 3.5 m-20 -33.06 129.28 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 57' ' ' ARG . 21.8 mmmt -113.41 35.44 4.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.903 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 56' ' ' LYS . 11.9 mmm180 -33.69 118.62 0.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.8 ttt180 -96.82 -30.73 13.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.816 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 79.3 p -85.78 -3.9 59.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -125.95 12.75 7.24 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.454 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.528 ' HB2' ' CE1' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -48.41 152.74 0.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.843 0.354 . . . . 0.0 110.839 -179.832 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.419 ' HG3' ' CD2' ' A' ' 79' ' ' PHE . 1.0 OUTLIER -129.13 110.24 11.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.896 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.6 ptmt -134.67 168.92 18.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 27.9 p -100.43 171.44 7.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.41 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 13.1 m-70 -56.67 152.2 12.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 33.6 t -97.06 115.89 37.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.109 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.9 m -84.91 139.14 32.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -114.1 143.53 44.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? 58.89 52.98 6.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -165.73 149.54 8.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 90.7 mt -105.7 -22.76 12.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -117.6 82.9 16.48 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.58 0.705 . . . . 0.0 110.896 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.431 ' HB2' ' CZ ' ' A' ' 75' ' ' PHE . 53.7 Cg_endo -69.76 138.78 38.62 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.684 2.256 . . . . 0.0 112.331 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 54.6 t -126.64 115.36 41.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.091 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.431 ' CZ ' ' HB2' ' A' ' 73' ' ' PRO . 7.7 m-85 -110.29 -61.02 1.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.4 t0 72.65 28.87 2.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -88.35 156.59 19.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.4 t -125.08 118.11 25.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.428 ' CD1' ' N ' ' A' ' 79' ' ' PHE . 5.4 m-85 -108.08 149.85 27.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.886 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.09 153.84 50.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.831 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -142.65 126.46 17.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 48.2 p -70.79 91.52 0.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.6 p -143.6 133.93 21.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.075 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.465 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 1.0 OUTLIER -75.12 146.8 41.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.853 -179.834 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.609 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 4.3 tp -52.99 -44.4 96.87 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.63 0.729 . . . . 0.0 110.895 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 65.9 Cg_exo -47.97 -32.24 17.58 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.71 2.273 . . . . 0.0 112.333 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -92.56 -54.26 3.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.454 HG12 ' N ' ' A' ' 89' ' ' GLN . 0.8 OUTLIER -47.45 -34.74 3.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.454 ' N ' HG12 ' A' ' 88' ' ' VAL . 74.1 mt-30 -55.48 -57.68 10.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -69.51 -23.44 63.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 12.8 mtp85 -81.08 174.54 11.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.41 ' CG2' ' N ' ' A' ' 93' ' ' LEU . 53.5 m -141.39 156.67 45.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.41 ' N ' ' CG2' ' A' ' 92' ' ' THR . 11.2 tp -99.76 111.36 23.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -84.31 102.49 12.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 23.5 t -110.79 100.65 11.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.125 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.416 ' HB2' ' CE ' ' A' ' 98' ' ' LYS . . . -117.73 117.01 28.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 64.8 t -100.24 108.05 22.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.165 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.416 ' CE ' ' HB2' ' A' ' 96' ' ' ALA . 0.1 OUTLIER -132.4 176.49 8.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.4 ' N ' HD13 ' A' ' 111' ' ' LEU . 4.5 p30 -94.8 120.99 35.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.3 t -60.91 143.15 55.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 63.25 -142.94 47.91 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.476 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 129.81 -163.98 22.67 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.465 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -75.85 -49.29 18.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.909 0.385 . . . . 0.0 110.929 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.1 mp -82.27 147.0 29.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 30.8 t -75.53 -44.1 45.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -118.79 106.34 12.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.457 ' N ' ' OD1' ' A' ' 107' ' ' ASP . 3.3 p-10 -157.64 -178.46 7.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 64.2 mttt -103.05 -35.08 8.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 40.55 37.92 1.35 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.53 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.427 HD12 ' N ' ' A' ' 112' ' ' GLY . 3.2 tp -72.64 119.4 16.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.881 0.372 . . . . 0.0 110.912 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.4 HD13 ' N ' ' A' ' 99' ' ' ASN . 3.9 mt -102.7 -30.62 10.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.427 ' N ' HD12 ' A' ' 110' ' ' LEU . . . -174.17 125.45 1.11 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.474 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.461 ' CA ' HD22 ' A' ' 133' ' ' LEU . 12.3 ptmt -136.84 160.03 40.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 7.6 p -161.8 138.73 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.125 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -97.28 148.59 22.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.92 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 71.0 t -128.31 116.65 42.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.154 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -77.59 112.78 14.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.066 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 6.4 mt -90.08 25.92 2.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.876 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -93.38 26.94 2.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.075 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.7 m -91.19 -175.96 4.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.819 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -121.61 -6.54 9.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -89.08 17.84 5.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 27.7 mt -75.59 -29.49 59.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.949 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -54.06 -38.91 65.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.28 -46.4 5.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 105.96 159.59 22.55 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.503 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 25.1 p90 -148.03 161.95 40.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.826 0.346 . . . . 0.0 110.951 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 89.4 m -133.77 131.17 39.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.119 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -161.05 165.22 30.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' TRP . . . . . 0.405 ' CE2' ' HB2' ' A' ' 14' ' ' GLN . 71.9 m95 -97.13 117.19 30.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -90.78 102.97 15.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.943 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -61.16 116.68 4.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.461 HD22 ' CA ' ' A' ' 113' ' ' LYS . 67.6 mt -65.09 146.69 54.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.942 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 59.3 p -133.88 -178.03 4.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.17 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -78.96 171.21 15.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.4 -62.22 1.52 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.4 t -102.12 126.2 49.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -40.17 154.46 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.498 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 167.84 23.21 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.71 2.273 . . . . 0.0 112.387 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 8.5 m -160.37 156.31 26.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.88 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 78.6 p 45.41 41.62 6.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.51 -179.96 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.1 m -61.38 166.87 3.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.897 0.379 . . . . 0.0 110.849 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.8 m -125.31 130.75 52.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.75 60.86 0.51 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.459 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -83.3 125.85 32.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.854 0.359 . . . . 0.0 110.874 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.7 t -83.77 97.21 9.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.26 130.63 3.28 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.521 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.6 m -155.86 121.17 2.51 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.645 0.736 . . . . 0.0 110.894 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -22.22 32.38 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.741 2.294 . . . . 0.0 112.315 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 91.6 mt -89.35 -48.93 7.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 142.86 -177.19 22.02 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.519 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -136.38 -179.07 5.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.716 0.293 . . . . 0.0 110.932 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.7 tt -166.0 137.95 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -105.85 119.63 39.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.3 mt -135.11 140.03 45.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 93.9 m -104.54 104.19 13.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.179 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 61.2 mt -98.8 119.78 47.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.126 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.8 ttm105 -147.73 116.03 6.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.47 ' CE1' ' HB2' ' A' ' 85' ' ' LEU . 28.5 t-80 -99.74 102.36 13.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.4 t -70.68 137.81 50.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.899 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 63.8 p -82.91 -40.24 20.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -66.9 -14.56 62.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.921 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.7 mmm-85 -119.25 -29.92 5.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.1 m120 62.69 44.63 6.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.7 mttt -131.65 147.13 52.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 24.6 tp -101.26 108.17 19.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.7 mp -97.64 130.26 46.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.114 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.9 t -132.06 112.86 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.3 t -96.83 132.32 41.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.092 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.7 t -106.38 91.64 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -56.34 -73.15 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.422 ' HB1' ' CB ' ' A' ' 74' ' ' VAL . . . -172.24 159.1 4.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.092 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 63.2 m -111.31 143.98 41.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -133.81 172.11 13.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.494 ' N ' HD21 ' A' ' 35' ' ' ASN . 1.4 m-80 51.88 44.19 29.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 86.5 mt -101.02 93.0 5.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.42 HD12 ' C ' ' A' ' 37' ' ' ILE . 2.5 pp -53.98 150.11 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -110.66 131.94 54.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -51.85 -29.07 18.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 41' ' ' GLU . 4.2 t -144.68 117.48 8.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 40' ' ' SER . 7.6 mm-40 -34.44 -44.79 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 41' ' ' GLU . 10.9 t0 -35.32 -49.08 0.5 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.88 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 152.14 153.16 6.16 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.0 p -138.94 158.7 43.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.846 0.355 . . . . 0.0 110.859 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.74 84.13 3.96 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.585 0.707 . . . . 0.0 110.831 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 140.68 43.29 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.71 2.274 . . . . 0.0 112.323 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.529 ' CD1' ' OG ' ' A' ' 100' ' ' SER . 3.4 p90 -148.01 133.43 18.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.408 HG13 ' N ' ' A' ' 49' ' ' ARG . 58.6 t -92.24 144.49 9.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.173 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.422 ' HD2' ' C ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -134.09 150.02 51.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 67.4 mtm -137.85 151.81 48.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.524 ' CZ ' ' HB2' ' A' ' 61' ' ' ARG . 10.5 m-85 -148.91 167.55 25.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.405 ' O ' ' O ' ' A' ' 55' ' ' ASP . 15.3 tp -123.34 87.89 2.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.525 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 45.3 mt -66.22 153.2 92.82 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.598 0.713 . . . . 0.0 110.904 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.6 Cg_endo -69.78 -46.77 0.34 Allowed 'Cis proline' 0 C--O 1.232 0.177 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.346 -0.1 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.9 OUTLIER -36.06 113.69 0.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.873 179.919 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 58' ' ' ARG . 42.2 mttt -106.68 49.32 0.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 38.4 mtp85 -47.55 93.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.817 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 56' ' ' LYS . 3.5 ptp180 -82.31 -14.36 55.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 69.2 m -74.72 -33.65 62.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -125.47 31.02 4.32 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.495 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 51' ' ' TYR . 4.9 ptt180 -51.82 153.85 2.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.781 0.324 . . . . 0.0 110.922 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.557 ' HG3' ' CE2' ' A' ' 81' ' ' PHE . 28.3 mmt-85 -113.15 110.38 20.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.3 pttt -137.77 169.23 18.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 49.3 p -96.49 156.48 16.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.163 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.418 ' CD2' ' H ' ' A' ' 66' ' ' VAL . 13.2 t-80 -53.2 156.29 2.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.418 ' H ' ' CD2' ' A' ' 65' ' ' HIS . 59.5 t -95.11 108.4 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.8 m -90.26 146.93 23.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 72.0 mttt -119.16 165.3 14.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp 47.56 53.33 11.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.3 t -169.15 128.51 1.04 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 21.0 mt -89.52 -30.86 17.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 14.0 p-10 -115.07 78.22 5.5 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.65 0.738 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 162.78 40.79 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.649 2.233 . . . . 0.0 112.368 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.422 ' CB ' ' HB1' ' A' ' 32' ' ' ALA . 2.6 p -150.36 120.15 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.476 ' O ' ' N ' ' A' ' 77' ' ' GLN . 1.4 m-85 -114.76 -21.75 10.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 75' ' ' PHE . 1.5 m-20 36.56 30.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 75' ' ' PHE . 5.1 tt0 -82.77 164.58 20.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.8 t -130.39 117.82 20.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -102.74 174.49 5.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -154.6 153.39 31.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.557 ' CE2' ' HG3' ' A' ' 62' ' ' ARG . 51.0 m-85 -143.26 118.42 10.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 52.5 p -68.91 88.82 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.833 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.4 p -143.83 134.21 21.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.112 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.474 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 1.4 m -73.87 146.51 44.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.597 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 0.3 OUTLIER -50.71 -44.91 85.81 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.612 0.72 . . . . 0.0 110.946 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 65.0 Cg_exo -48.0 -41.66 32.85 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.718 2.279 . . . . 0.0 112.335 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 89' ' ' GLN . 33.6 mt-10 -82.57 -57.3 3.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -40.81 -24.45 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.163 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 87' ' ' GLU . 62.0 mt-30 -61.16 -57.78 11.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.5 mtp-105 -73.36 -18.87 61.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 41.2 mtt180 -80.84 168.08 19.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 97.8 m -139.51 153.06 47.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.122 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.9 tp -97.96 101.83 13.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.63 102.81 5.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 11.3 t -112.63 110.65 32.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -128.99 124.95 36.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.084 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 75.8 t -104.44 103.42 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.58 -177.51 3.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.843 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.412 ' OD1' ' N ' ' A' ' 99' ' ' ASN . 12.4 p-10 -110.27 108.9 19.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.529 ' OG ' ' CD1' ' A' ' 47' ' ' TYR . 4.0 m -66.8 125.27 25.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 157.86 -73.57 0.23 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.467 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 59.91 123.65 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.496 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -133.3 38.89 3.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.851 0.358 . . . . 0.0 110.875 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 8.2 mt -135.95 176.22 8.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.904 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 55.6 m -55.71 -71.31 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 15.6 mtmm -145.32 119.02 9.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -170.78 154.09 4.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -93.29 -29.62 15.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 50.11 64.59 3.45 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.499 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.43 ' CD2' ' HB2' ' A' ' 136' ' ' ASP . 7.0 tp -81.75 128.19 33.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.828 0.347 . . . . 0.0 110.923 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 96.0 mt -92.03 -45.65 8.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -173.23 145.85 8.6 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.478 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -150.49 150.2 30.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.831 0.348 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 7.2 p -145.43 130.18 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -93.79 148.66 21.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 96.2 t -131.19 117.75 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -74.78 109.68 8.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 21.7 mt -85.66 25.2 1.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -90.55 23.76 2.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.074 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.8 t -101.35 159.87 14.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -90.64 -33.03 15.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -43.33 -24.47 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 124' ' ' ALA . 18.6 mt -44.25 -48.1 9.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 123' ' ' LEU . . . -37.27 -34.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 179.786 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -105.57 -42.99 5.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 98.72 160.64 29.83 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.443 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 30.3 p90 -147.42 171.81 14.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.865 0.364 . . . . 0.0 110.872 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 89.4 m -144.11 123.68 13.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -157.95 166.88 31.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' TRP . . . . . . . . . . . . . 80.7 m95 -91.78 109.41 20.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -79.92 103.84 10.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.968 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.88 120.53 10.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.83 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 51.4 mt -69.0 155.24 40.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.938 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 34.6 p -147.94 161.47 41.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -74.24 158.98 33.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . 0.43 ' HB2' ' CD2' ' A' ' 110' ' ' LEU . 14.0 t0 -74.22 79.34 1.8 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 4.0 t -90.98 104.55 17.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 178.45 145.34 6.0 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.485 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 109.02 2.22 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.671 2.247 . . . . 0.0 112.356 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 28.2 p -85.16 157.06 20.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.814 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 28.1 p -107.09 130.95 54.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.823 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.502 179.99 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.4 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 121.69 0.757 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -31.07 21.26 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.702 2.268 . . . . 0.0 112.356 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 134' ' ' THR . 50.9 mt -62.78 -46.72 86.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 134.7 176.78 14.53 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.513 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -134.52 -176.34 4.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.758 0.313 . . . . 0.0 110.937 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.625 HD12 ' SG ' ' A' ' 33' ' ' CYS . 12.3 tt -169.24 141.75 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.551 ' OE1' ' CD1' ' A' ' 130' ' ' TRP . 5.1 tt0 -109.98 120.33 42.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.741 HD11 HG11 ' A' ' 95' ' ' VAL . 48.5 mt -132.01 123.31 27.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 45.7 m -88.31 105.09 17.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 58.9 mt -97.56 126.63 50.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.151 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.2 ttt180 -151.6 109.37 3.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 -102.95 117.0 33.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.6 t -83.89 136.07 34.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.6 t -79.11 -33.94 43.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.838 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.442 ' OE1' ' NH1' ' A' ' 23' ' ' ARG . 47.0 tt0 -67.48 -48.61 66.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.98 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.442 ' NH1' ' OE1' ' A' ' 22' ' ' GLN . 7.1 mpt_? -86.78 -10.84 52.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.7 m120 47.49 48.91 16.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -130.15 157.65 41.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 49.1 tp -111.85 106.98 15.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.945 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.413 HD12 ' N ' ' A' ' 27' ' ' ILE . 4.0 mp -95.37 130.24 44.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.15 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.9 t -136.08 114.49 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.156 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.429 HG13 ' O ' ' A' ' 77' ' ' GLN . 20.8 t -99.44 135.92 32.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.138 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.543 ' HA ' HD23 ' A' ' 15' ' ' LEU . 11.3 t -108.71 81.73 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -46.6 -74.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -175.04 169.9 3.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.126 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.625 ' SG ' HD12 ' A' ' 13' ' ' ILE . 14.8 m -120.41 155.13 34.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.919 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -143.93 164.69 29.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.818 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 56.03 44.46 25.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.4 mt -98.58 94.0 6.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.61 ' O ' HD12 ' A' ' 37' ' ' ILE . 2.7 pp -51.43 141.48 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.139 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.539 ' HB2' ' CD2' ' A' ' 71' ' ' LEU . . . -105.52 129.07 53.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.089 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -54.39 -18.52 4.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.9 t -154.91 122.92 5.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -46.07 -39.05 8.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -38.61 -48.0 1.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 154.58 132.85 1.68 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.433 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.487 ' HB3' ' HB1' ' A' ' 38' ' ' ALA . 10.8 p -117.61 159.28 23.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.829 0.347 . . . . 0.0 110.872 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.28 81.71 10.96 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.633 0.73 . . . . 0.0 110.876 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 147.03 62.04 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.685 2.257 . . . . 0.0 112.367 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.414 ' HB3' HG22 ' A' ' 66' ' ' VAL . 14.6 p90 -158.67 144.6 16.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.942 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.565 HG22 HG22 ' A' ' 97' ' ' VAL . 62.7 t -94.66 140.1 17.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.102 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.475 ' NE ' ' CD1' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -121.96 124.9 45.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 40.3 mtm -112.69 125.48 54.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.475 ' CD1' ' NE ' ' A' ' 49' ' ' ARG . 5.4 m-85 -134.41 133.17 40.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.891 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 52' ' ' LEU . 6.4 tp -88.69 92.02 9.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.962 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.533 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 2.3 mm? -69.77 154.94 94.31 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.62 0.724 . . . . 0.0 110.909 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.6 Cg_endo -69.78 -40.05 1.19 Allowed 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.322 -0.103 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 54' ' ' PRO . 1.8 m-20 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 17.5 mmt180 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.898 0.38 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.5 ptmm? -132.35 166.09 22.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 57.0 p -96.66 170.08 9.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 47.9 t60 -52.8 156.21 2.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.414 HG22 ' HB3' ' A' ' 47' ' ' TYR . 90.5 t -106.51 103.0 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 61.6 m -71.2 143.16 50.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.838 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.8 mtpt -117.45 144.97 44.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.905 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 35.8 mmtm 59.06 49.82 8.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.0 t -165.16 146.81 7.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.1 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.539 ' CD2' ' HB2' ' A' ' 38' ' ' ALA . 66.4 mt -102.32 -29.18 11.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.974 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 24.5 p30 -109.21 80.99 1.52 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.64 0.733 . . . . 0.0 110.945 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.446 ' HB2' ' CZ ' ' A' ' 75' ' ' PHE . 53.7 Cg_endo -69.75 152.14 69.31 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.736 2.291 . . . . 0.0 112.32 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 60.0 t -136.79 120.85 23.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.446 ' CZ ' ' HB2' ' A' ' 73' ' ' PRO . 0.9 OUTLIER -118.44 -38.52 3.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 45.84 32.4 1.27 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.856 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.429 ' O ' HG13 ' A' ' 29' ' ' VAL . 25.0 mt-30 -91.67 165.83 13.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 40.7 t -131.02 127.15 37.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -109.58 168.39 9.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -150.45 150.21 31.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -145.56 121.97 10.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 33.2 p -69.62 91.27 0.59 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.896 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.7 p -143.51 134.81 22.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.135 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.49 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 0.8 OUTLIER -73.77 148.53 42.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.835 -179.836 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.621 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 3.9 tp -54.83 -43.65 98.82 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.579 0.704 . . . . 0.0 110.929 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 65.5 Cg_exo -48.01 -35.29 25.04 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.667 2.244 . . . . 0.0 112.314 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -88.89 -62.76 1.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.536 HG12 ' HA ' ' A' ' 85' ' ' LEU . 1.4 p -43.76 -25.05 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.073 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.423 ' OE1' ' HA ' ' A' ' 86' ' ' PRO . 61.1 mt-30 -62.63 -57.63 10.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -76.18 -2.38 30.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 33.6 mtp180 -97.63 173.57 7.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.51 HG23 ' O ' ' A' ' 116' ' ' VAL . 4.4 m -138.85 152.71 48.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.2 tp -103.52 97.44 7.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.424 ' CB ' HD21 ' A' ' 53' ' ' LEU . 10.0 t70 -70.12 104.75 2.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.741 HG11 HD11 ' A' ' 15' ' ' LEU . 24.4 t -113.83 101.86 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.101 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.514 ' HB1' ' HZ2' ' A' ' 98' ' ' LYS . . . -119.06 133.35 55.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.167 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.565 HG22 HG22 ' A' ' 48' ' ' VAL . 98.8 t -108.64 98.7 7.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.143 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.514 ' HZ2' ' HB1' ' A' ' 96' ' ' ALA . 13.9 mttp -113.14 176.17 5.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.725 ' HB3' HD11 ' A' ' 111' ' ' LEU . 25.5 p-10 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 11.1 tp . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.808 0.337 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.725 HD11 ' HB3' ' A' ' 99' ' ' ASN . 14.5 mt -87.78 -43.45 11.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.44 ' C ' HD22 ' A' ' 133' ' ' LEU . . . -172.57 146.82 9.4 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.519 ' CA ' HD22 ' A' ' 133' ' ' LEU . 14.6 ptmt -151.68 148.33 27.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.807 0.336 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.471 HG21 ' HB3' ' A' ' 131' ' ' TYR . 7.6 p -142.89 141.95 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.104 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -104.43 144.84 31.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.51 ' O ' HG23 ' A' ' 92' ' ' THR . 84.0 t -126.57 133.75 67.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -89.62 112.9 24.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.04 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.442 ' CD1' HG22 ' A' ' 88' ' ' VAL . 26.7 mt -87.54 23.06 2.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -89.02 27.75 1.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.097 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 42.3 t -96.99 155.0 16.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.825 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -94.26 -23.67 17.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -83.55 37.29 0.57 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 15.1 mt -85.14 -37.08 20.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -50.29 -43.43 53.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 34.1 mttp -75.45 -48.55 22.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 96.09 151.11 27.8 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.498 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 21.0 p90 -141.51 163.63 32.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.828 0.347 . . . . 0.0 110.937 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 18.0 m -132.75 127.18 34.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.187 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -158.86 162.4 36.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.959 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' TRP . . . . . 0.551 ' CD1' ' OE1' ' A' ' 14' ' ' GLN . 78.0 m95 -95.78 110.27 22.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' TYR . . . . . 0.471 ' HB3' HG21 ' A' ' 114' ' ' VAL . 26.5 m-85 -81.34 101.83 10.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.948 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.61 112.2 1.9 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.519 HD22 ' CA ' ' A' ' 113' ' ' LYS . 57.8 mt -61.81 146.16 50.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.956 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.471 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.1 p -135.77 172.6 12.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -67.68 167.35 13.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 3.9 p30 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.821 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.8 m . . . . . 0 C--O 1.231 0.11 0 CA-C-O 121.692 0.758 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -30.22 22.77 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.686 2.257 . . . . 0.0 112.335 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.52 HD22 ' O ' ' A' ' 111' ' ' LEU . 42.6 mt -93.92 -39.61 10.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.978 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 140.88 -167.37 25.65 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -144.05 171.12 14.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.813 0.34 . . . . 0.0 110.9 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.3 tt -158.06 142.33 7.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.155 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.489 ' HB2' ' CE2' ' A' ' 130' ' ' TRP . 30.4 tt0 -111.9 116.33 30.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.792 HD11 HG11 ' A' ' 95' ' ' VAL . 8.9 mt -129.18 127.06 40.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.956 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 90.1 m -92.29 104.56 16.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.486 HD12 HG11 ' A' ' 116' ' ' VAL . 51.3 mt -97.28 123.88 49.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.16 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.6 ttt-85 -150.59 106.79 3.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 -99.66 123.97 44.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.0 t -93.22 135.86 34.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 90.6 p -74.42 -54.57 7.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.826 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -56.52 -43.13 79.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.956 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.446 ' O ' ' CG ' ' A' ' 24' ' ' ASN . 39.5 mtt-85 -85.36 -18.6 33.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.446 ' CG ' ' O ' ' A' ' 23' ' ' ARG . 6.8 p-10 46.23 40.65 7.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.1 mttt -123.93 141.87 51.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 48.1 tp -99.07 112.91 24.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.97 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.9 mp -103.53 129.5 55.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 50.8 t -133.99 112.75 16.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 43.3 t -97.23 140.58 17.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.6 t -114.76 77.61 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.13 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -44.16 -73.07 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -174.64 163.09 3.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.8 m -114.39 154.39 28.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -141.6 165.95 26.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 23.7 m120 55.26 42.9 29.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 37.7 mt -98.14 87.72 4.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.663 HD12 ' C ' ' A' ' 37' ' ' ILE . 1.8 pp -45.96 151.39 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -116.23 127.59 54.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -48.57 -24.54 1.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.6 t -145.53 118.67 8.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 42' ' ' ASP . 11.2 pt-20 -39.09 -45.13 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 41' ' ' GLU . 8.1 t70 -35.69 -50.43 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 158.62 148.47 5.19 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.517 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.3 p -131.97 155.9 47.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.908 0.385 . . . . 0.0 110.845 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.92 80.85 1.36 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.634 0.731 . . . . 0.0 110.851 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 144.7 55.0 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.665 2.243 . . . . 0.0 112.398 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.449 ' CB ' HG22 ' A' ' 66' ' ' VAL . 2.7 p90 -157.99 133.87 9.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.754 HG22 HG22 ' A' ' 97' ' ' VAL . 77.1 t -85.47 143.46 11.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.118 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 19.0 ttm180 -125.96 131.5 52.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 58.0 mtm -116.17 137.52 52.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -152.29 113.38 4.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.3 tp -73.15 93.45 1.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.545 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 72.8 mt -65.32 152.36 92.09 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.609 0.719 . . . . 0.0 110.918 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.5 Cg_endo -69.76 -34.96 2.87 Favored 'Cis proline' 0 C--N 1.341 0.152 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.345 -0.146 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 54' ' ' PRO . 2.3 m-20 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.44 ' HB3' ' CD2' ' A' ' 79' ' ' PHE . 66.4 mmt-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.882 0.372 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt -130.72 170.39 14.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 41.6 p -96.32 160.02 14.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 63.9 m-70 -53.04 167.84 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.873 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.449 HG22 ' CB ' ' A' ' 47' ' ' TYR . 95.4 t -110.18 109.43 28.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.502 ' OG ' HG23 ' A' ' 70' ' ' THR . 11.8 p -72.82 148.13 44.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 17.4 mtpt -121.21 140.66 51.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.943 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? 56.63 50.61 12.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.502 HG23 ' OG ' ' A' ' 67' ' ' SER . 4.3 t -163.38 142.8 8.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.153 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 72.3 mt -98.59 -31.11 12.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -108.89 81.65 1.57 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.628 0.728 . . . . 0.0 110.871 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.559 ' HB2' ' CZ ' ' A' ' 75' ' ' PHE . 53.5 Cg_endo -69.76 146.34 59.87 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.677 2.251 . . . . 0.0 112.376 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 63.1 t -131.03 115.71 30.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.559 ' CZ ' ' HB2' ' A' ' 73' ' ' PRO . 1.4 m-85 -113.59 -38.12 4.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.8 t70 46.91 35.35 3.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -89.99 161.16 16.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.97 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 27.9 t -130.51 118.18 20.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.839 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.44 ' CD2' ' HB3' ' A' ' 62' ' ' ARG . 15.4 m-85 -103.26 160.37 14.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -140.87 152.49 45.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.462 ' O ' HG12 ' A' ' 83' ' ' VAL . 4.9 m-85 -149.37 118.25 6.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 42.7 p -68.75 91.07 0.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.846 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.462 HG12 ' O ' ' A' ' 81' ' ' PHE . 2.0 p -143.28 136.34 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.109 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.439 ' C ' ' HD2' ' A' ' 86' ' ' PRO . 4.1 m -75.09 139.25 42.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.59 ' HA ' HG12 ' A' ' 88' ' ' VAL . 2.0 tp -46.25 -47.53 45.34 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.625 0.726 . . . . 0.0 110.884 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.554 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 65.3 Cg_exo -47.99 -30.81 14.56 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.735 2.29 . . . . 0.0 112.31 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -91.44 -43.45 9.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.904 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.59 HG12 ' HA ' ' A' ' 85' ' ' LEU . 1.0 OUTLIER -64.81 -19.79 26.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.156 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.581 ' HG3' HD12 ' A' ' 85' ' ' LEU . 80.1 mt-30 -64.87 -55.95 16.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -73.82 -7.06 50.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -95.27 173.54 7.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.539 ' CG2' HD12 ' A' ' 115' ' ' LEU . 62.2 m -143.65 146.05 32.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.5 tp -91.21 104.18 16.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -74.35 100.2 3.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.792 HG11 HD11 ' A' ' 15' ' ' LEU . 21.6 t -111.32 100.88 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -116.99 124.84 50.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.754 HG22 HG22 ' A' ' 48' ' ' VAL . 53.8 t -104.72 117.84 51.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.59 -176.5 5.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.943 179.921 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.53 HD11 ' HB3' ' A' ' 113' ' ' LYS . 5.1 tp . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.85 0.357 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.52 ' O ' HD22 ' A' ' 10' ' ' LEU . 42.4 mt -88.35 -31.04 19.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -178.23 148.0 8.28 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.519 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.53 ' HB3' HD11 ' A' ' 110' ' ' LEU . 7.9 ptmm? -151.02 147.92 27.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.797 0.332 . . . . 0.0 110.94 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 12.1 p -147.84 129.04 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.124 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.539 HD12 ' CG2' ' A' ' 92' ' ' THR . 4.5 mm? -93.67 144.24 25.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.486 HG11 HD12 ' A' ' 17' ' ' ILE . 95.5 t -124.67 118.95 54.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.081 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -77.92 108.16 10.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.466 ' CD1' HG22 ' A' ' 88' ' ' VAL . 5.9 mt -84.21 24.88 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -84.47 24.22 1.02 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.054 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 46.2 t -85.72 178.87 7.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.855 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -124.15 -21.19 5.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -83.23 17.46 2.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 9.6 mt -59.67 -47.82 84.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -45.14 -33.75 2.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.11 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 11.5 mmmt -83.73 -29.66 27.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 73.82 150.9 1.85 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.517 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 21.4 p90 -148.22 165.69 30.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.787 0.327 . . . . 0.0 110.939 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 93.2 m -135.44 130.19 34.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.115 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -161.21 156.12 23.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' TRP . . . . . 0.489 ' CE2' ' HB2' ' A' ' 14' ' ' GLN . 86.5 m95 -89.56 116.23 27.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -88.66 99.66 12.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.949 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -54.42 125.12 18.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 28.8 mt -73.68 141.97 46.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.452 ' C ' ' CD1' ' A' ' 10' ' ' LEU . 82.4 p -125.34 -179.67 4.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.168 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -79.81 173.7 12.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.467 ' CB ' ' HG3' ' A' ' 12' ' ' GLN . 20.3 m . . . . . 0 C--O 1.231 0.086 0 CA-C-O 121.677 0.751 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -21.07 34.13 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.666 2.244 . . . . 0.0 112.339 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.684 HD12 ' HA ' ' A' ' 134' ' ' THR . 92.3 mt -93.5 -47.94 6.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 155.4 163.49 12.18 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.498 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.467 ' HG3' ' CB ' ' A' ' 8' ' ' SER . 23.0 mt-30 -125.25 166.7 16.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.762 0.315 . . . . 0.0 110.944 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.41 HG23 ' O ' ' A' ' 13' ' ' ILE . 18.6 tt -159.03 128.92 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.512 ' HB2' ' CE2' ' A' ' 130' ' ' TRP . 9.4 tt0 -102.11 123.19 45.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.658 HD11 HG11 ' A' ' 95' ' ' VAL . 6.2 mt -136.39 139.67 42.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 88.9 m -103.75 104.61 14.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.556 ' CD1' HG11 ' A' ' 116' ' ' VAL . 25.0 mt -98.8 116.47 41.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 36.6 ttt180 -147.64 106.31 3.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.452 ' CE1' ' HB2' ' A' ' 85' ' ' LEU . 11.4 t-80 -98.4 117.23 32.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.829 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 24' ' ' ASN . 5.1 t -83.51 125.47 31.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.43 ' O ' ' ND2' ' A' ' 24' ' ' ASN . 35.9 t -66.28 -53.73 33.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -50.26 -51.14 47.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.963 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.7 mtm180 -82.23 -21.44 36.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.493 ' N ' ' O ' ' A' ' 20' ' ' SER . 0.9 OUTLIER 54.58 53.98 9.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.894 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.8 mttt -135.64 153.08 51.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.9 tp -110.99 105.97 14.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.1 mp -97.07 130.63 45.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 28.8 t -132.28 116.25 28.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.108 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.3 t -102.14 131.03 51.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.119 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 20.3 t -105.91 77.88 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.153 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -41.11 -74.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -174.98 161.6 2.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.608 ' HB3' HD11 ' A' ' 36' ' ' LEU . 71.9 m -107.46 160.69 15.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -153.23 160.9 42.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 61.0 m-20 57.52 45.02 20.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.608 HD11 ' HB3' ' A' ' 33' ' ' CYS . 74.3 mt -98.63 86.94 3.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.652 ' O ' HD12 ' A' ' 37' ' ' ILE . 2.3 pp -48.39 132.92 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.15 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.452 ' HB2' ' CD2' ' A' ' 71' ' ' LEU . . . -93.83 132.17 38.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.154 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -54.66 -23.08 15.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 41' ' ' GLU . 8.2 t -147.79 117.92 7.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 42' ' ' ASP . 31.9 mp0 -37.1 -45.56 0.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 41' ' ' GLU . 15.1 t70 -35.06 -50.42 0.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.834 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 147.57 137.07 2.88 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.524 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 53.6 m -122.21 167.58 13.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.859 0.362 . . . . 0.0 110.84 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.89 82.84 7.06 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.613 0.72 . . . . 0.0 110.896 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 144.06 52.81 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.688 2.259 . . . . 0.0 112.348 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.429 ' CB ' HG22 ' A' ' 66' ' ' VAL . 18.9 p90 -157.25 152.18 25.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.477 HG12 ' N ' ' A' ' 49' ' ' ARG . 79.6 t -99.74 156.83 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.14 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.477 ' N ' HG12 ' A' ' 48' ' ' VAL . 4.9 tpt180 -141.28 134.43 29.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.411 ' O ' ' CD1' ' A' ' 51' ' ' TYR . 48.4 mtm -119.57 139.12 52.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.411 ' CD1' ' O ' ' A' ' 50' ' ' MET . 11.6 m-85 -151.13 120.75 6.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.939 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.1 tp -79.08 93.27 5.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.53 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 54.3 mt -73.49 151.95 89.63 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.571 0.7 . . . . 0.0 110.909 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.5 Cg_endo -69.81 -32.47 3.92 Favored 'Cis proline' 0 C--O 1.231 0.174 0 C-N-CA 122.709 -1.788 . . . . 0.0 112.336 -0.08 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 54' ' ' PRO . 11.8 m-20 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.3 mmp_? . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.884 0.373 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.2 ptpp? -138.49 166.43 24.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 40.8 p -98.12 176.58 5.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 -62.53 156.08 24.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.429 HG22 ' CB ' ' A' ' 47' ' ' TYR . 45.0 t -106.82 100.75 11.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 67.0 m -74.95 146.64 41.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.8 mttm -123.13 156.55 34.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.892 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.8 mmtp 56.67 44.24 24.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.3 t -163.74 166.4 22.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.146 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.452 ' CD2' ' HB2' ' A' ' 38' ' ' ALA . 56.9 mt -121.2 -26.53 5.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -110.38 77.05 1.16 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.6 0.714 . . . . 0.0 110.869 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.411 ' HB2' ' CZ ' ' A' ' 75' ' ' PHE . 54.0 Cg_endo -69.74 144.63 54.75 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.743 2.296 . . . . 0.0 112.355 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 91.2 t -125.76 120.79 58.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.411 ' CZ ' ' HB2' ' A' ' 73' ' ' PRO . 4.6 m-85 -114.31 -49.4 2.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.1 t70 53.82 39.93 30.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -96.12 161.01 14.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.4 t -130.45 110.87 11.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.858 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.409 ' CD1' ' N ' ' A' ' 79' ' ' PHE . 7.6 m-85 -99.78 159.88 14.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.412 ' O ' ' CD1' ' A' ' 81' ' ' PHE . 0.1 OUTLIER -143.42 156.86 44.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.865 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.412 ' CD1' ' O ' ' A' ' 80' ' ' ASP . 9.2 m-85 -149.97 136.98 19.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 40.0 p -85.76 90.3 8.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.4 p -143.77 137.85 24.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.099 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.437 ' C ' ' HD2' ' A' ' 86' ' ' PRO . 3.3 m -73.82 135.49 43.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.849 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.537 ' HA ' HG12 ' A' ' 88' ' ' VAL . 1.1 tp -43.72 -48.85 20.28 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.632 0.73 . . . . 0.0 110.942 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.529 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 64.9 Cg_exo -47.97 -34.22 22.2 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.691 2.261 . . . . 0.0 112.378 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.63 -50.42 8.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.831 HG22 HD12 ' A' ' 118' ' ' LEU . 1.4 p -64.68 -14.38 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.176 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.547 ' O ' ' HB2' ' A' ' 119' ' ' ALA . 8.0 mt-30 -65.86 -59.09 4.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.08 4.38 6.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.856 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 48.6 mtt-85 -98.04 172.88 7.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 38.8 m -137.71 133.65 34.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.157 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.49 ' HB2' HD21 ' A' ' 118' ' ' LEU . 5.7 tp -83.7 100.69 11.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.578 ' OD1' HD11 ' A' ' 115' ' ' LEU . 15.7 t70 -73.45 97.58 2.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.658 HG11 HD11 ' A' ' 15' ' ' LEU . 19.4 t -109.13 103.25 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.409 ' HB1' ' HD2' ' A' ' 98' ' ' LYS . . . -125.34 125.09 42.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.442 HG22 HG22 ' A' ' 48' ' ' VAL . 21.8 t -102.66 105.37 18.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.542 ' HG3' HD12 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -119.59 -178.65 3.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 179.873 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.542 HD12 ' HG3' ' A' ' 98' ' ' LYS . 5.3 tp . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.794 0.331 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 69.2 mt -67.23 -54.41 21.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -170.13 144.11 8.26 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.489 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.505 ' HB3' HD11 ' A' ' 110' ' ' LEU . 17.8 ptmt -143.7 155.16 44.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 0.0 110.877 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 9.9 p -152.73 138.26 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.578 HD11 ' OD1' ' A' ' 94' ' ' ASP . 3.1 mm? -103.75 138.55 40.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.556 HG11 ' CD1' ' A' ' 17' ' ' ILE . 97.8 t -121.41 122.18 66.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.178 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -81.58 112.36 18.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.084 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.831 HD12 HG22 ' A' ' 88' ' ' VAL . 2.5 mt -89.51 20.57 3.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.933 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.547 ' HB2' ' O ' ' A' ' 89' ' ' GLN . . . -83.65 10.94 8.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.09 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.2 m -71.59 166.95 20.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -108.06 -3.83 18.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -106.66 47.98 0.86 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 14.4 mt -89.56 -52.8 4.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -37.17 -36.32 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 35.7 mttp -81.84 -45.85 14.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 90.22 154.8 30.35 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 26.9 p90 -146.37 156.3 43.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.837 0.351 . . . . 0.0 110.943 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 86.4 m -128.11 127.92 43.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.146 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -161.6 167.27 25.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' TRP . . . . . 0.512 ' CE2' ' HB2' ' A' ' 14' ' ' GLN . 84.0 m95 -98.4 123.12 42.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.956 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -96.1 103.65 15.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.921 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -64.41 117.18 6.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 55.0 mt -64.61 153.85 38.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.684 ' HA ' HD12 ' A' ' 10' ' ' LEU . 72.7 p -140.47 177.37 8.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.448 ' HG3' HD11 ' A' ' 10' ' ' LEU . 44.6 mt-10 -75.59 164.96 25.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.831 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 87.0 p . . . . . 0 C--O 1.231 0.085 0 CA-C-O 121.645 0.736 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -21.62 33.36 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.688 2.259 . . . . 0.0 112.335 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.578 HD22 ' O ' ' A' ' 111' ' ' LEU . 92.4 mt -92.1 -28.31 17.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.944 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 127.83 172.42 13.22 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -125.56 174.85 7.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.756 0.312 . . . . 0.0 110.927 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.535 HD12 ' SG ' ' A' ' 33' ' ' CYS . 7.0 tt -167.95 130.51 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.135 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -101.74 129.61 47.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.945 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.977 HD11 HG11 ' A' ' 95' ' ' VAL . 42.1 mt -134.63 123.81 24.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.6 m -87.84 103.57 15.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.563 ' CD1' HG11 ' A' ' 116' ' ' VAL . 33.5 mt -98.28 120.11 47.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 35.8 ttt180 -149.16 108.71 3.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 25.5 t-80 -102.65 113.83 27.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.2 t -79.81 127.65 32.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 77.5 p -69.73 -45.56 67.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -60.32 -50.24 74.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 34.9 mtt180 -77.77 -28.79 50.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 60.69 51.0 5.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -134.45 155.12 50.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 37.1 tp -109.5 106.32 16.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.3 mp -100.62 133.11 44.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.121 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.2 t -134.28 111.81 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.2 t -96.8 124.76 49.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.152 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.584 HG22 ' CD2' ' A' ' 15' ' ' LEU . 62.7 t -100.89 85.28 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.136 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -48.55 -75.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -174.15 160.72 3.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.535 ' SG ' HD12 ' A' ' 13' ' ' ILE . 87.1 m -109.45 158.38 18.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -146.5 162.57 38.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 59.19 42.91 17.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 66.2 mt -96.18 88.58 4.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.748 HD11 HD22 ' A' ' 111' ' ' LEU . 2.6 pp -42.93 149.19 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.117 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.646 ' HB2' HD21 ' A' ' 71' ' ' LEU . . . -111.87 112.74 24.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.166 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -42.46 -32.63 0.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 41' ' ' GLU . 8.8 t -142.41 116.81 9.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 42' ' ' ASP . 7.7 tp10 -35.76 -44.58 0.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 41' ' ' GLU . 0.6 OUTLIER -35.29 -49.49 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 148.19 149.79 5.05 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.499 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.2 p -132.33 166.01 22.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.904 0.383 . . . . 0.0 110.861 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -115.02 81.82 8.04 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.574 0.702 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 139.78 40.88 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.697 2.265 . . . . 0.0 112.359 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -150.39 136.98 18.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.499 HG23 ' CZ ' ' A' ' 75' ' ' PHE . 44.0 t -87.2 136.76 22.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.15 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.522 ' HD2' ' CE1' ' A' ' 51' ' ' TYR . 36.2 ttp180 -121.93 144.46 48.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.817 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.454 ' HE1' ' CD1' ' A' ' 79' ' ' PHE . 42.8 mtm -129.37 125.65 37.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.522 ' CE1' ' HD2' ' A' ' 49' ' ' ARG . 3.8 m-85 -128.15 133.52 48.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 52' ' ' LEU . 9.5 tp -89.94 91.5 8.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.534 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 2.1 mm? -79.46 154.06 76.44 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.592 0.711 . . . . 0.0 110.931 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.8 Cg_endo -69.77 -29.42 5.72 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.694 -1.794 . . . . 0.0 112.334 -0.079 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 54' ' ' PRO . 11.0 m-20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.869 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.883 0.373 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.2 pttm -144.0 169.79 17.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.482 HG22 ' HZ ' ' A' ' 79' ' ' PHE . 68.2 p -98.13 174.22 6.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -58.46 156.09 10.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 67.4 t -99.22 104.65 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.185 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 33.8 m -78.83 145.45 34.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.4 mttt -121.71 158.32 29.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 23.4 mmtm 48.27 50.05 16.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.9 t -165.19 139.79 5.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.646 HD21 ' HB2' ' A' ' 38' ' ' ALA . 53.9 mt -96.32 -30.69 13.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 -110.11 81.66 2.25 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.604 0.716 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 139.66 40.92 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.731 2.287 . . . . 0.0 112.361 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.3 t -120.67 105.66 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.136 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.499 ' CZ ' HG23 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -96.37 -51.08 4.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.3 t70 54.2 29.29 10.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -92.43 159.65 15.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.852 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.9 t -128.96 123.01 31.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.482 ' HZ ' HG22 ' A' ' 64' ' ' THR . 25.1 m-85 -105.33 175.03 5.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -154.56 153.41 31.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.401 ' O ' HG12 ' A' ' 83' ' ' VAL . 5.8 m-85 -150.65 117.59 5.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 35.4 p -68.02 91.79 0.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.401 HG12 ' O ' ' A' ' 81' ' ' PHE . 3.1 p -143.69 134.89 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.125 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.449 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 1.2 m -73.85 147.02 43.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.597 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 4.2 tp -51.39 -45.19 90.08 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.566 0.698 . . . . 0.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 65.1 Cg_exo -47.96 -39.45 32.53 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.694 2.263 . . . . 0.0 112.302 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -81.84 -58.86 2.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.611 HG22 HD12 ' A' ' 118' ' ' LEU . 1.4 p -51.0 -25.57 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.133 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.46 ' HG3' HD12 ' A' ' 85' ' ' LEU . 54.4 mt-30 -59.94 -47.16 86.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.0 ptp180 -81.77 -14.53 56.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 86.1 mtt-85 -82.36 177.99 8.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.0 m -146.28 143.08 28.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.3 tp -93.36 94.92 9.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.855 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.461 ' HB2' ' CD2' ' A' ' 53' ' ' LEU . 67.3 t0 -76.27 101.64 5.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.845 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.977 HG11 HD11 ' A' ' 15' ' ' LEU . 5.2 t -106.36 118.27 53.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.141 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.524 ' HB1' ' HD2' ' A' ' 98' ' ' LYS . . . -135.83 125.42 25.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 38.8 t -103.91 108.78 25.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.093 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.524 ' HD2' ' HB1' ' A' ' 96' ' ' ALA . 0.0 OUTLIER -126.36 -178.71 4.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.896 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 4.2 p30 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.49 HD12 ' HG3' ' A' ' 98' ' ' LYS . 8.8 tp . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.835 0.35 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.748 HD22 HD11 ' A' ' 37' ' ' ILE . 90.4 mt -83.32 -44.74 14.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.407 ' C ' HD22 ' A' ' 133' ' ' LEU . . . -176.83 147.52 8.46 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.503 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -146.24 152.1 38.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.727 HG21 ' HB3' ' A' ' 131' ' ' TYR . 7.8 p -144.81 127.64 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.524 HD22 ' N ' ' A' ' 115' ' ' LEU . 3.1 mm? -89.67 153.37 20.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.563 HG11 ' CD1' ' A' ' 17' ' ' ILE . 54.6 t -136.87 132.0 47.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -91.88 116.14 28.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.611 HD12 HG22 ' A' ' 88' ' ' VAL . 6.6 mt -93.62 22.86 5.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' A' ' 89' ' ' GLN . . . -90.82 25.32 2.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.9 m -87.78 -179.32 6.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -118.88 -10.23 9.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -97.88 47.55 1.01 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 124' ' ' ALA . 15.2 mt -91.8 -57.5 2.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 123' ' ' LEU . . . -34.06 -36.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.068 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 123' ' ' LEU . 0.1 OUTLIER -80.53 -50.19 10.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.899 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 96.99 150.55 26.96 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.492 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' TRP . . . . . 0.414 ' CZ3' HD23 ' A' ' 123' ' ' LEU . 23.5 p90 -143.81 165.05 28.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.848 0.356 . . . . 0.0 110.944 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 85.3 m -139.92 123.99 17.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.145 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.581 ' CD ' ' CE1' ' A' ' 131' ' ' TYR . 8.4 pt20 -151.46 157.63 42.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' TRP . . . . . . . . . . . . . 62.9 m95 -92.01 110.85 22.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.933 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' TYR . . . . . 0.727 ' HB3' HG21 ' A' ' 114' ' ' VAL . 49.4 m-85 -88.62 106.58 18.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.926 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 30.0 p-10 -67.49 118.36 10.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.407 HD22 ' C ' ' A' ' 112' ' ' GLY . 18.0 mt -62.61 133.83 55.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 58.6 p -122.68 176.59 5.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -71.4 163.27 28.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 179.991 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.706 0.765 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -23.49 30.73 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.704 2.27 . . . . 0.0 112.332 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.5 mt -87.0 -47.67 8.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 143.4 170.84 13.36 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.497 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -132.14 169.82 15.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.815 0.341 . . . . 0.0 110.918 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.463 HD12 ' SG ' ' A' ' 33' ' ' CYS . 7.2 tt -155.37 139.75 9.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.441 ' HB2' ' CE2' ' A' ' 130' ' ' TRP . 8.8 tt0 -103.61 124.94 49.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.956 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.699 HD11 HG11 ' A' ' 95' ' ' VAL . 73.7 mt -136.28 133.08 36.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.963 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.1 m -101.07 103.39 14.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.137 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.631 ' CD1' HG11 ' A' ' 116' ' ' VAL . 23.1 mt -99.48 122.8 51.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -153.83 110.99 3.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 24.1 t-80 -100.27 114.57 28.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.4 t -76.62 123.77 26.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.831 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.8 p -76.44 -11.25 59.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -94.36 -30.85 14.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.951 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -100.77 -25.28 14.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.3 m120 64.01 50.35 2.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -136.36 153.18 51.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.959 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 39.7 tp -110.22 106.37 15.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.414 ' N ' HD12 ' A' ' 27' ' ' ILE . 5.0 mp -97.59 137.11 26.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.4 t -140.44 113.49 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.096 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.3 t -96.45 140.05 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.546 HG22 ' CD2' ' A' ' 15' ' ' LEU . 13.8 t -120.99 87.88 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.548 ' O ' HG23 ' A' ' 74' ' ' VAL . 93.9 m-70 -54.64 -73.45 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.513 ' HB2' HG23 ' A' ' 74' ' ' VAL . . . -174.71 158.62 2.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.463 ' SG ' HD12 ' A' ' 13' ' ' ILE . 96.7 m -105.91 152.57 23.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 33.1 ptt85 -140.02 164.56 29.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 65.6 m-20 59.06 39.98 22.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.2 mt -95.56 95.66 8.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.661 ' O ' HD12 ' A' ' 37' ' ' ILE . 2.6 pp -56.92 133.17 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -96.73 119.02 34.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -43.72 -33.32 1.21 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 38.7 t -138.96 122.44 17.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 42' ' ' ASP . 19.1 mt-10 -44.37 -40.53 5.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 41' ' ' GLU . 34.0 m-20 -36.39 -50.66 0.77 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 151.75 139.48 2.97 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.506 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.9 m -122.56 164.66 17.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.823 0.344 . . . . 0.0 110.895 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.431 ' HB3' ' CG1' ' A' ' 66' ' ' VAL . 1.2 m-20 -119.96 82.63 28.94 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.632 0.73 . . . . 0.0 110.894 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 138.39 37.78 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.667 2.245 . . . . 0.0 112.381 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.707 ' HB3' HG22 ' A' ' 66' ' ' VAL . 23.6 p90 -147.93 134.33 19.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.969 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.5 t -95.39 130.04 44.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.134 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.471 ' HG3' ' CE2' ' A' ' 47' ' ' TYR . 31.3 mtm180 -120.7 136.88 54.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 60.3 mtm -118.56 130.68 56.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.855 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -135.56 114.48 12.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.7 tp -72.7 80.77 1.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.939 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.546 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 83.8 mt -61.31 152.14 73.88 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.643 0.735 . . . . 0.0 110.88 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 54.0 Cg_endo -69.76 -45.1 0.44 Allowed 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.669 -1.805 . . . . 0.0 112.34 -0.15 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.901 0.381 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.451 ' CB ' ' HG2' ' A' ' 49' ' ' ARG . 8.5 ptmm? -144.24 170.92 15.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.571 HG22 ' HZ ' ' A' ' 79' ' ' PHE . 29.3 p -103.83 166.29 10.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.213 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 15.3 t60 -52.66 160.21 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.887 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.707 HG22 ' HB3' ' A' ' 47' ' ' TYR . 46.6 t -104.56 99.95 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.087 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 73.5 m -71.94 137.58 47.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 56.9 mttt -117.05 147.42 42.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.447 ' N ' ' HD3' ' A' ' 69' ' ' LYS . 0.0 OUTLIER 61.42 52.46 3.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.831 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.6 t -169.73 138.05 1.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.168 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 89.3 mt -94.93 -22.83 17.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.934 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -113.02 78.72 3.15 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.63 0.728 . . . . 0.0 110.868 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 130.93 20.24 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.679 2.253 . . . . 0.0 112.342 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 31' ' ' HIS . 4.8 p -127.16 121.12 57.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.101 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -112.78 -25.05 9.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 43.5 t0 41.91 33.75 0.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -95.79 160.0 14.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.3 t -131.03 122.9 27.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.571 ' HZ ' HG22 ' A' ' 64' ' ' THR . 3.9 m-85 -103.56 169.32 8.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -153.19 147.17 25.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -142.84 120.69 11.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 36.6 p -68.42 90.08 0.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 6.9 p -143.84 132.07 18.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.109 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.444 ' C ' ' HD2' ' A' ' 86' ' ' PRO . 1.3 m -73.67 144.69 45.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.646 ' HA ' HG12 ' A' ' 88' ' ' VAL . 4.5 tp -51.73 -44.83 91.45 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.604 0.716 . . . . 0.0 110.931 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 65.1 Cg_exo -47.95 -31.76 16.43 Favored 'Trans proline' 0 N--CA 1.466 -0.138 0 C-N-CA 122.687 2.258 . . . . 0.0 112.363 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -93.27 -54.59 3.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.646 HG12 ' HA ' ' A' ' 85' ' ' LEU . 1.7 p -50.28 -36.7 13.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.553 ' O ' ' HB2' ' A' ' 119' ' ' ALA . 28.0 mt-30 -47.3 -42.83 21.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.947 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -78.92 -32.78 45.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -66.18 -178.1 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.2 m -152.92 137.56 16.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.7 tp -83.14 107.45 15.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.969 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.406 ' OD1' ' C ' ' A' ' 94' ' ' ASP . 47.4 t0 -84.26 98.52 10.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.699 HG11 HD11 ' A' ' 15' ' ' LEU . 5.7 t -107.8 111.27 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.158 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -131.25 122.23 26.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.127 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 26.6 t -106.69 114.81 46.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.142 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.455 ' N ' ' HD3' ' A' ' 98' ' ' LYS . 0.1 OUTLIER -144.44 173.34 11.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.911 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 99' ' ' ASN . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.425 HD12 ' HD2' ' A' ' 98' ' ' LYS . 21.8 tp . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.81 0.338 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 13.8 mt -86.49 -45.21 11.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.684 ' O ' HD22 ' A' ' 133' ' ' LEU . . . -171.77 130.48 1.95 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.46 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt -131.68 153.76 49.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.816 0.341 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.451 HG21 ' HB3' ' A' ' 131' ' ' TYR . 13.5 p -147.37 132.45 11.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -95.87 154.71 17.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.631 HG11 ' CD1' ' A' ' 17' ' ' ILE . 88.0 t -138.44 117.03 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -80.96 112.32 18.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.144 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.617 HD12 HG22 ' A' ' 88' ' ' VAL . 9.4 mt -84.85 24.48 1.05 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.553 ' HB2' ' O ' ' A' ' 89' ' ' GLN . . . -88.05 23.26 2.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.106 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.423 ' O ' HD12 ' A' ' 123' ' ' LEU . 41.1 t -98.02 163.83 12.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 31.6 mp0 -97.15 -24.11 15.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -56.12 -21.22 21.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.423 HD12 ' O ' ' A' ' 120' ' ' SER . 7.9 mt -44.05 -46.12 8.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -40.79 -41.03 1.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 10.6 mtmm -91.04 -56.74 3.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 112.92 151.5 11.06 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 17.7 p90 -148.95 164.17 35.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.823 0.344 . . . . 0.0 110.944 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 85.3 m -142.91 127.63 18.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.184 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -157.48 159.04 36.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.927 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' TRP . . . . . 0.441 ' CE2' ' HB2' ' A' ' 14' ' ' GLN . 84.0 m95 -86.28 105.28 16.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' TYR . . . . . 0.451 ' HB3' HG21 ' A' ' 114' ' ' VAL . 24.4 m-85 -76.55 101.59 5.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -56.23 118.49 4.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.684 HD22 ' O ' ' A' ' 112' ' ' GLY . 67.5 mt -67.73 134.22 50.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 72.2 p -120.57 172.53 7.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.164 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -73.68 162.8 28.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.928 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 2.0 t70 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.962 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.5 p . . . . . 0 C--O 1.232 0.137 0 CA-C-O 121.615 0.722 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -18.07 37.16 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.692 2.262 . . . . 0.0 112.373 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 95.5 mt -96.45 -43.94 7.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 153.78 176.12 25.83 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.473 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -130.36 170.68 13.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.769 0.318 . . . . 0.0 110.906 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 18.2 tt -162.68 136.76 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -107.72 110.01 21.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.682 HD11 HG11 ' A' ' 95' ' ' VAL . 45.5 mt -122.99 135.57 54.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.4 m -102.92 108.27 19.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.154 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.564 HG21 HD22 ' A' ' 118' ' ' LEU . 20.6 mt -102.41 115.85 45.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.13 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 -148.47 115.76 6.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -97.51 112.73 24.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.486 ' O ' ' N ' ' A' ' 24' ' ' ASN . 30.7 t -74.21 126.35 30.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 61.3 p -71.88 -43.71 64.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -66.04 -38.65 88.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.7 mtt-85 -91.88 -20.6 21.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.486 ' N ' ' O ' ' A' ' 20' ' ' SER . 11.6 m120 51.81 51.69 16.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 47.4 mttt -137.28 150.88 48.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.575 HD13 HG21 ' A' ' 88' ' ' VAL . 16.6 tp -99.23 110.29 22.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.867 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.483 HD12 ' N ' ' A' ' 27' ' ' ILE . 4.0 mp -101.54 130.95 50.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.19 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 48.9 t -134.34 112.37 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.2 t -94.15 141.22 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.521 HG22 ' CD2' ' A' ' 15' ' ' LEU . 21.3 t -118.21 77.72 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.172 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -42.73 -74.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -175.03 161.35 2.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 85.4 m -109.17 164.79 12.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.847 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -163.72 151.84 13.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.0 m120 71.62 51.43 0.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.737 HD13 ' HB3' ' A' ' 46' ' ' PRO . 36.0 mt -102.4 86.7 2.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.632 ' O ' HD12 ' A' ' 37' ' ' ILE . 2.1 pp -38.74 132.47 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.594 ' HB3' ' HA ' ' A' ' 41' ' ' GLU . . . -86.49 142.21 28.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.086 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -53.03 -44.44 67.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.3 t -134.97 35.19 3.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.594 ' HA ' ' HB3' ' A' ' 38' ' ' ALA . 14.7 mt-10 39.68 32.7 0.1 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -111.99 -35.92 5.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 146.08 114.54 0.87 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.502 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.4 m -115.12 165.78 12.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.849 0.357 . . . . 0.0 110.877 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.42 86.7 3.61 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.602 0.715 . . . . 0.0 110.836 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.737 ' HB3' HD13 ' A' ' 36' ' ' LEU . 53.2 Cg_endo -69.79 142.17 47.09 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.653 2.235 . . . . 0.0 112.336 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 9.5 p90 -159.96 133.66 7.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.591 HG22 HG22 ' A' ' 97' ' ' VAL . 40.0 t -92.32 146.03 6.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 -137.49 138.75 40.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 59.9 mtm -116.08 140.61 49.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.439 ' O ' ' CD2' ' A' ' 53' ' ' LEU . 17.0 m-85 -145.55 113.62 6.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.4 tp -72.16 88.38 1.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.564 HD21 ' CB ' ' A' ' 94' ' ' ASP . 3.7 mm? -63.88 156.12 74.58 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.621 0.724 . . . . 0.0 110.889 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 54.0 Cg_endo -69.73 -35.15 2.8 Favored 'Cis proline' 0 C--N 1.342 0.212 0 C-N-CA 122.632 -1.82 . . . . 0.0 112.38 -0.213 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.854 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.464 ' HB3' ' CD2' ' A' ' 79' ' ' PHE . 23.6 mmt85 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.87 0.367 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -140.92 167.82 21.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.404 ' HB ' ' CG ' ' A' ' 75' ' ' PHE . 68.0 p -98.77 167.15 10.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.195 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -53.46 157.55 2.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.904 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 20.8 t -110.29 102.64 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.6 m -78.14 153.27 32.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.8 mtpt -122.99 146.03 47.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.65 53.58 8.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.3 t -163.71 137.46 5.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.109 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.554 ' O ' HD12 ' A' ' 36' ' ' LEU . 5.3 mp -92.58 -26.88 17.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -122.13 85.15 46.23 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.614 0.721 . . . . 0.0 110.91 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -175.03 1.03 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.712 2.274 . . . . 0.0 112.359 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.4 t -156.74 126.0 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.14 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.404 ' CG ' ' HB ' ' A' ' 64' ' ' THR . 11.7 m-85 -125.08 -50.68 1.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.889 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.8 t70 57.66 32.22 21.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -96.33 154.56 17.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.3 t -131.01 117.22 18.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.464 ' CD2' ' HB3' ' A' ' 62' ' ' ARG . 5.7 m-85 -101.84 167.76 9.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.868 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -149.33 156.23 41.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -145.54 124.62 12.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 62.9 p -70.31 91.03 0.72 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.7 p -143.44 141.82 25.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.109 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.463 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 1.6 m -80.83 147.7 30.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.607 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 8.0 tp -52.73 -44.53 95.82 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.637 0.732 . . . . 0.0 110.936 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.607 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 64.6 Cg_exo -47.95 -38.6 31.48 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.693 2.262 . . . . 0.0 112.344 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -84.4 -57.03 3.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.575 HG21 HD13 ' A' ' 26' ' ' LEU . 1.0 OUTLIER -49.78 -27.23 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.508 ' HG3' HD12 ' A' ' 85' ' ' LEU . 62.7 mt-30 -59.14 -49.74 76.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 25.1 mtp85 -78.75 -4.72 50.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 60.8 mtt-85 -97.44 171.2 8.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 32.6 m -139.4 150.06 44.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.132 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.6 tp -94.31 100.03 12.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.564 ' CB ' HD21 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -76.07 99.9 4.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.815 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.682 HG11 HD11 ' A' ' 15' ' ' LEU . 6.1 t -111.05 113.47 44.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -135.81 126.81 27.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.591 HG22 HG22 ' A' ' 48' ' ' VAL . 67.7 t -100.69 100.23 9.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.146 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.27 -176.47 3.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.426 ' HB3' HD11 ' A' ' 111' ' ' LEU . 14.4 p-10 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 21.9 tp . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.831 0.348 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.426 HD11 ' HB3' ' A' ' 99' ' ' ASN . 35.4 mt -78.56 -39.79 36.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.95 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.505 ' C ' HD22 ' A' ' 133' ' ' LEU . . . 175.57 149.77 7.58 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.504 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.512 ' N ' HD22 ' A' ' 133' ' ' LEU . 7.5 pttt -152.97 158.81 42.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.791 0.329 . . . . 0.0 110.93 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.532 HG11 ' HB3' ' A' ' 131' ' ' TYR . 7.7 p -149.75 141.42 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.131 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -103.97 144.65 31.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.503 HG11 ' CD1' ' A' ' 17' ' ' ILE . 87.5 t -130.13 122.98 55.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.114 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -81.76 113.05 19.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.564 HD22 HG21 ' A' ' 17' ' ' ILE . 18.4 mt -88.49 20.46 3.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -83.43 16.07 2.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.089 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.9 m -94.42 157.31 16.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -91.74 -27.43 18.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -50.91 -18.29 0.74 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 14.0 mt -48.71 -31.38 6.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -52.27 -35.93 51.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.079 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 31.4 mtpt -98.91 -48.38 4.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 105.4 154.53 21.93 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.482 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 16.8 p90 -146.58 155.8 42.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.85 0.357 . . . . 0.0 110.912 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 91.6 m -131.22 131.28 43.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -160.77 162.85 32.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.958 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' TRP . . . . . . . . . . . . . 75.9 m95 -92.47 105.57 17.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' TYR . . . . . 0.532 ' HB3' HG11 ' A' ' 114' ' ' VAL . 25.4 m-85 -74.58 103.46 4.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.937 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -63.0 116.58 5.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.512 HD22 ' N ' ' A' ' 113' ' ' LYS . 38.3 mt -62.69 138.47 58.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 25.4 p -130.56 -177.07 4.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -77.31 159.33 29.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.817 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.2 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.65 0.738 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -24.28 29.79 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.649 2.232 . . . . 0.0 112.373 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.657 HD22 ' O ' ' A' ' 111' ' ' LEU . 21.4 mt -79.74 -44.66 20.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 143.81 -157.02 26.92 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.479 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -154.7 166.61 32.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 0.0 110.947 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.458 HD11 HD21 ' A' ' 15' ' ' LEU . 9.9 tt -148.87 128.95 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.429 ' HB2' ' CE2' ' A' ' 130' ' ' TRP . 28.0 tt0 -99.08 115.12 28.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.458 HD21 HD11 ' A' ' 13' ' ' ILE . 5.2 mt -134.5 156.58 48.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 98.1 m -115.71 105.53 12.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.624 ' CD1' HG11 ' A' ' 116' ' ' VAL . 22.8 mt -98.75 116.02 40.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.095 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -148.38 116.67 6.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 -98.26 113.08 24.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 24' ' ' ASN . 25.2 t -78.69 126.53 30.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 26.6 p -70.17 -46.65 64.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -59.96 -48.54 81.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.7 -27.78 33.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 20' ' ' SER . 7.1 m120 58.89 47.67 12.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.5 mttm -133.44 155.98 48.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.802 HD21 HD13 ' A' ' 93' ' ' LEU . 15.1 tp -106.37 106.03 16.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.4 mp -95.68 121.86 46.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.132 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 38.6 t -123.84 111.11 27.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.5 t -95.07 146.39 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.7 t -126.17 96.08 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -65.3 -72.54 0.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -174.31 157.2 2.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.406 ' SG ' HD12 ' A' ' 13' ' ' ILE . 27.0 m -106.92 152.29 24.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.564 ' HD3' ' CH2' ' A' ' 130' ' ' TRP . 20.7 ptt85 -142.02 159.3 42.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.847 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 62.1 46.59 6.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 29.7 mt -101.88 96.34 6.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.822 ' O ' HD12 ' A' ' 37' ' ' ILE . 2.8 pp -59.27 125.95 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.61 124.5 34.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.115 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -47.24 -32.39 4.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 41' ' ' GLU . 28.7 m -136.3 114.22 11.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.825 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 40' ' ' SER . 28.0 mt-10 -37.5 -42.9 0.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.922 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 41' ' ' GLU . 19.1 t0 -36.74 -46.65 0.62 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.832 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 150.74 144.6 3.95 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 51.3 p -131.54 153.67 49.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.874 0.369 . . . . 0.0 110.861 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.08 82.9 1.61 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.611 0.72 . . . . 0.0 110.855 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 141.31 44.72 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.664 2.242 . . . . 0.0 112.347 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 12.8 p90 -151.24 139.1 19.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 50.6 t -85.2 146.02 7.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.158 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.3 ttt180 -127.11 133.28 50.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 60.2 mtm -125.24 129.13 49.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -140.33 138.74 35.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 52' ' ' LEU . 6.3 tp -93.26 87.96 5.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.977 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.533 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 2.5 mm? -66.98 154.62 92.03 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.579 0.704 . . . . 0.0 110.915 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.9 Cg_endo -69.78 -38.98 1.44 Allowed 'Cis proline' 0 C--N 1.341 0.153 0 C-N-CA 122.672 -1.804 . . . . 0.0 112.376 -0.129 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.3 t70 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.925 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.869 0.366 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -146.19 171.31 15.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 74.0 p -96.19 166.35 11.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -51.37 160.62 0.55 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 26.1 t -109.48 104.62 17.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.7 t -79.41 140.35 37.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.81 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 35.0 mttp -117.5 156.27 28.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.883 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.8 mmmt 56.19 45.85 22.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.6 t -161.64 146.62 13.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.158 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 70.5 mt -99.5 -34.6 10.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 18.3 p-10 -109.82 81.17 1.9 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.612 0.72 . . . . 0.0 110.899 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 142.85 49.03 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.731 2.287 . . . . 0.0 112.35 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.7 t -126.74 122.15 60.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -110.88 -62.63 1.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.9 t0 74.27 28.62 1.36 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -96.2 156.12 16.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 44.4 t -130.14 125.03 34.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.485 ' CD1' ' N ' ' A' ' 79' ' ' PHE . 2.2 m-85 -112.25 163.23 14.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -146.33 149.62 34.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -138.33 129.56 27.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 78.4 p -73.41 92.74 1.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.811 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.7 p -143.68 133.68 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.465 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 1.2 m -74.96 147.65 40.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.609 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 4.2 tp -52.86 -44.54 96.51 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.616 0.722 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 64.9 Cg_exo -48.02 -34.44 23.08 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.644 2.229 . . . . 0.0 112.357 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -90.48 -53.95 4.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.533 HG21 HD13 ' A' ' 26' ' ' LEU . 0.8 OUTLIER -49.32 -31.84 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.185 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.413 ' OE1' ' HA ' ' A' ' 86' ' ' PRO . 73.3 mt-30 -55.47 -54.99 37.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.969 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.485 ' CZ ' ' HB2' ' A' ' 90' ' ' ARG . 15.5 mtm105 -71.95 -26.02 62.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -78.24 168.44 19.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.9 m -135.6 151.22 50.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.145 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.802 HD13 HD21 ' A' ' 26' ' ' LEU . 5.4 tp -94.56 101.01 12.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.71 99.91 3.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 32.5 t -112.63 101.44 12.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.158 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -125.61 127.12 45.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 84.1 t -97.06 98.77 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.107 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -113.11 172.62 6.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.3 p30 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 179.965 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 27.8 tp . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.825 0.345 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.657 ' O ' HD22 ' A' ' 10' ' ' LEU . 27.4 mt -79.81 -33.14 40.66 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 175.76 141.22 3.71 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.465 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.3 ptmm? -137.76 152.94 49.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.811 0.338 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 7.2 p -148.13 126.4 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.16 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -96.0 146.61 24.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.624 HG11 ' CD1' ' A' ' 17' ' ' ILE . 78.3 t -129.52 108.72 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.23 107.54 1.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.12 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 9.2 mt -82.33 17.37 1.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -85.54 15.56 4.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.5 t -91.97 151.9 20.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.857 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -82.4 -23.57 34.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -56.26 -14.38 2.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 30.9 mt -58.56 -24.4 60.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -62.3 -25.22 67.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.09 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 52.7 mttm -107.9 -52.83 2.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 111.44 140.57 8.25 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.544 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 20.1 p90 -137.57 158.03 45.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.853 0.359 . . . . 0.0 110.899 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 89.0 m -138.79 129.36 26.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.514 ' OE1' ' N ' ' A' ' 130' ' ' TRP . 0.1 OUTLIER -162.15 162.78 28.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.943 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 130' ' ' TRP . . . . . 0.564 ' CH2' ' HD3' ' A' ' 34' ' ' ARG . 78.1 m95 -81.42 100.9 9.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' TYR . . . . . 0.461 ' CE1' ' HG3' ' A' ' 129' ' ' GLN . 20.4 m-85 -72.8 103.28 3.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -60.76 131.64 51.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.847 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 95.0 mt -80.32 157.91 26.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 4.7 p -145.91 170.61 16.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -75.82 165.45 24.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.949 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 45.6 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.678 0.751 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -33.67 16.05 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.676 2.251 . . . . 0.0 112.328 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.482 ' CD1' ' HA ' ' A' ' 134' ' ' THR . 15.3 mt -75.52 -51.28 13.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.894 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.479 ' CA ' ' O ' ' A' ' 35' ' ' ASN . . . 144.35 173.34 15.65 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.492 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -125.46 167.21 15.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.824 0.345 . . . . 0.0 110.876 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.695 HD11 HD21 ' A' ' 15' ' ' LEU . 8.3 tt -154.88 133.09 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.192 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -101.85 121.6 42.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.727 HD11 HG11 ' A' ' 95' ' ' VAL . 30.3 mt -135.2 129.6 33.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.2 m -96.64 105.22 17.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.121 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.419 HG21 HD22 ' A' ' 118' ' ' LEU . 15.1 mt -98.79 124.27 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.16 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -154.02 109.08 3.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.504 ' CE1' ' HB2' ' A' ' 85' ' ' LEU . 19.0 t-80 -97.7 103.69 15.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.7 t -66.96 131.2 45.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 89.4 p -82.11 -6.61 59.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 12.8 tp60 -96.56 -39.76 9.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -93.91 -10.74 32.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.867 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 50.3 43.7 26.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.3 mttm -129.26 160.11 34.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 21.5 tp -114.92 107.86 15.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.3 mp -98.56 137.98 24.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.126 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.2 t -139.57 108.75 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.093 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 19.3 t -92.53 131.09 40.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.131 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.707 HG22 HD22 ' A' ' 15' ' ' LEU . 71.0 t -111.05 86.04 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.141 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.502 ' O ' HG23 ' A' ' 74' ' ' VAL . 90.5 m-70 -52.21 -71.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.638 ' HB2' HG23 ' A' ' 74' ' ' VAL . . . -174.93 161.77 3.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.081 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 68.0 m -108.05 169.24 8.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 34' ' ' ARG . 4.0 ptp180 -152.47 170.67 19.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.479 ' O ' ' CA ' ' A' ' 11' ' ' GLY . 2.3 m-80 46.81 47.93 15.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.0 mt -102.84 89.92 3.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.946 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.455 HD12 ' C ' ' A' ' 37' ' ' ILE . 2.6 pp -45.62 152.43 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -117.66 125.22 50.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.077 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -44.47 -32.57 1.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 41' ' ' GLU . 22.9 t -144.05 125.92 15.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 42' ' ' ASP . 21.6 tt0 -37.62 -45.58 0.78 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 41' ' ' GLU . 88.0 m-20 -34.77 -50.07 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 143.37 145.31 4.39 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.457 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.8 m -122.87 166.99 14.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.894 0.378 . . . . 0.0 110.855 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.29 82.24 2.59 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.599 0.714 . . . . 0.0 110.844 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 142.85 48.9 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.666 2.244 . . . . 0.0 112.345 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -156.7 136.19 12.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.416 HG12 ' N ' ' A' ' 49' ' ' ARG . 80.1 t -85.24 153.42 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.12 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.416 ' N ' HG12 ' A' ' 48' ' ' VAL . 21.6 ttt180 -135.63 134.1 38.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.402 ' HE1' ' CD1' ' A' ' 79' ' ' PHE . 66.2 mtm -125.43 118.66 26.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -131.28 113.73 14.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.9 tp -68.53 90.97 0.4 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.931 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.539 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 46.8 mt -69.84 151.71 96.24 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.605 0.716 . . . . 0.0 110.911 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 54.0 Cg_endo -69.79 -30.93 4.87 Favored 'Cis proline' 0 C--O 1.232 0.205 0 C-N-CA 122.664 -1.807 . . . . 0.0 112.339 -0.147 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 54' ' ' PRO . 3.1 t70 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.872 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 5.5 tpt85 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.895 0.379 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.4 pttt -141.5 171.25 14.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.675 HG22 ' CZ ' ' A' ' 79' ' ' PHE . 59.8 p -98.36 174.0 6.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.168 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 6.6 t-80 -56.1 174.52 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.852 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 67.6 t -120.87 99.36 7.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 74.9 m -76.84 148.33 36.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -123.38 157.49 33.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.6 mptt 53.45 54.28 10.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.8 t -168.99 136.3 1.86 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.16 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 94.7 mt -91.51 -30.9 16.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.936 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -109.96 77.55 1.14 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.631 0.729 . . . . 0.0 110.941 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 147.28 62.28 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.7 2.267 . . . . 0.0 112.319 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.638 HG23 ' HB2' ' A' ' 32' ' ' ALA . 3.5 p -140.1 133.62 35.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.092 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -124.56 -30.37 3.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.7 t70 46.71 36.74 3.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.841 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -97.74 157.66 15.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.4 t -126.73 119.57 27.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.675 ' CZ ' HG22 ' A' ' 64' ' ' THR . 26.3 m-85 -100.38 170.05 8.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -147.95 150.17 33.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -145.94 126.39 14.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 57.6 p -72.01 92.19 1.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.819 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.3 p -143.49 133.55 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.48 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 1.8 m -75.78 147.89 38.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.852 HD13 ' C ' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -52.31 -44.66 94.02 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.641 0.734 . . . . 0.0 110.951 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.728 ' N ' HD13 ' A' ' 85' ' ' LEU . 66.1 Cg_exo -47.99 -40.56 33.29 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.683 2.255 . . . . 0.0 112.333 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 89' ' ' GLN . 0.2 OUTLIER -80.83 -64.05 1.27 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.533 HG22 HD12 ' A' ' 118' ' ' LEU . 1.8 p -40.56 -24.63 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.088 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.811 ' OE1' HD11 ' A' ' 85' ' ' LEU . 12.2 mt-30 -57.25 -44.68 84.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 -92.61 -23.98 18.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.437 ' HG3' ' HA ' ' A' ' 88' ' ' VAL . 13.3 mmp_? -59.34 167.04 1.99 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.9 m -136.66 130.46 32.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.168 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.4 tp -85.72 103.73 14.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.402 ' HB2' HD11 ' A' ' 53' ' ' LEU . 17.7 t0 -76.68 97.43 4.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.835 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.727 HG11 HD11 ' A' ' 15' ' ' LEU . 20.3 t -108.56 100.98 11.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -125.28 127.49 46.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.112 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 96.3 t -100.14 98.77 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -112.98 -177.27 3.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.8 p30 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.938 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 15.3 tp . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.847 0.356 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 76.0 mt -75.57 -45.72 36.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.456 ' C ' HD22 ' A' ' 133' ' ' LEU . . . -173.7 149.73 11.25 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.502 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -154.77 154.66 33.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.769 0.318 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 5.6 p -152.74 122.95 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.141 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.416 HD22 ' N ' ' A' ' 115' ' ' LEU . 3.8 mm? -88.19 146.63 25.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 59.5 t -133.22 129.3 56.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.13 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -90.78 114.54 26.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.533 HD12 HG22 ' A' ' 88' ' ' VAL . 10.0 mt -85.89 28.87 0.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.459 ' HB2' ' O ' ' A' ' 89' ' ' GLN . . . -84.43 29.51 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.087 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 41.4 m -96.44 167.54 11.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -105.97 -17.86 14.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -92.98 47.09 1.25 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.512 HD23 ' CZ3' ' A' ' 127' ' ' TRP . 12.7 mt -88.99 -51.98 5.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -41.39 -44.35 2.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 10.6 mtmm -67.72 -42.08 82.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 87.91 151.2 21.56 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.498 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' TRP . . . . . 0.512 ' CZ3' HD23 ' A' ' 123' ' ' LEU . 18.5 p90 -148.66 154.66 39.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.866 0.365 . . . . 0.0 110.882 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 87.4 m -122.83 137.35 54.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -168.09 155.8 8.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' TRP . . . . . . . . . . . . . 82.5 m95 -92.63 111.19 22.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -83.78 106.65 15.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -61.47 124.79 21.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.456 HD22 ' C ' ' A' ' 112' ' ' GLY . 48.2 mt -65.25 156.94 30.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.482 ' HA ' ' CD1' ' A' ' 10' ' ' LEU . 82.7 p -148.22 162.33 39.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.157 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -78.33 162.3 26.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.831 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 8.7 t0 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.904 179.924 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 55.4 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.718 0.771 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -20.09 35.29 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.742 2.295 . . . . 0.0 112.319 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.877 HD22 ' O ' ' A' ' 111' ' ' LEU . 24.4 mt -100.45 -34.45 9.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 134.19 -166.47 24.08 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.472 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.7 mp0 -140.39 -177.62 5.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.727 0.298 . . . . 0.0 110.916 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.655 HD12 ' SG ' ' A' ' 33' ' ' CYS . 5.5 tt -168.55 127.91 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.496 ' HB2' ' CE2' ' A' ' 130' ' ' TRP . 12.7 tt0 -101.25 125.75 47.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.826 HD11 HG11 ' A' ' 95' ' ' VAL . 19.3 mt -136.43 130.18 32.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.0 m -93.41 108.48 20.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.173 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 52.8 mt -100.86 119.77 49.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -149.32 109.03 4.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 -100.65 107.57 19.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.876 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.3 t -73.15 143.71 47.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.821 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.9 p -83.48 -45.71 13.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.842 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.421 ' CD ' ' O ' ' A' ' 22' ' ' GLN . 1.5 tm0? -60.77 -23.45 65.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -108.08 -24.89 11.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 57.16 35.9 26.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.4 mttt -119.6 152.14 37.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.7 tp -104.83 104.83 14.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.2 mp -95.55 133.45 36.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.101 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.6 t -135.29 113.74 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.489 HG13 ' O ' ' A' ' 77' ' ' GLN . 13.1 t -98.02 127.33 50.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.446 HG22 HD22 ' A' ' 15' ' ' LEU . 24.9 t -101.04 85.58 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -48.3 -75.15 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -175.09 159.79 2.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.151 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.655 ' SG ' HD12 ' A' ' 13' ' ' ILE . 6.5 m -106.44 167.83 9.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.404 ' HB2' ' NH1' ' A' ' 34' ' ' ARG . 2.2 ptm85 -156.84 162.74 39.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 37.9 m-20 56.0 49.76 15.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.547 HD12 ' O ' ' A' ' 71' ' ' LEU . 85.3 mt -97.95 86.69 3.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.449 HD12 ' C ' ' A' ' 37' ' ' ILE . 2.0 pp -40.8 139.41 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.124 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.864 ' HB3' ' HA ' ' A' ' 41' ' ' GLU . . . -97.4 129.52 44.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.109 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -38.87 -41.77 0.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.5 t -132.09 29.24 4.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.864 ' HA ' ' HB3' ' A' ' 38' ' ' ALA . 17.5 mt-10 39.38 33.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -117.37 -38.11 3.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 151.77 108.57 0.39 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.482 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.4 m -112.44 177.81 4.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.9 0.381 . . . . 0.0 110.88 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 45' ' ' ASP . 0.1 OUTLIER -111.09 81.25 2.66 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.585 0.707 . . . . 0.0 110.902 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 137.95 36.8 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.717 2.278 . . . . 0.0 112.341 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.491 ' CB ' HG22 ' A' ' 66' ' ' VAL . 2.9 p90 -156.98 142.29 17.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.906 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.492 HG12 ' N ' ' A' ' 49' ' ' ARG . 40.0 t -89.4 157.91 2.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.147 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.492 ' N ' HG12 ' A' ' 48' ' ' VAL . 21.5 ttm180 -144.15 123.38 12.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.581 ' HE3' ' CD2' ' A' ' 79' ' ' PHE . 61.4 mtm -111.75 131.14 55.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -141.85 117.51 10.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 52' ' ' LEU . 6.0 tp -68.92 91.25 0.46 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.913 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.624 HD11 ' HB2' ' A' ' 94' ' ' ASP . 58.3 mt -71.73 151.41 93.39 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.631 0.729 . . . . 0.0 110.877 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 54.5 Cg_endo -69.7 -37.21 2.06 Favored 'Cis proline' 0 C--N 1.342 0.218 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.399 -0.189 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.459 ' C ' ' O ' ' A' ' 54' ' ' PRO . 86.3 m-20 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.845 0.355 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.7 ptpp? -141.71 171.3 14.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 70.4 p -96.24 173.13 7.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.196 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.47 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 5.7 m80 -61.12 132.53 54.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.491 HG22 ' CB ' ' A' ' 47' ' ' TYR . 41.7 t -88.12 105.99 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 69.3 m -85.9 153.87 21.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.831 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.1 mttp -123.08 144.24 49.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.4 mptt 63.02 43.68 6.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.0 t -154.45 138.71 16.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.547 ' O ' HD12 ' A' ' 36' ' ' LEU . 2.0 mp -93.56 -36.29 12.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.947 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 35.9 p-10 -111.5 79.41 2.3 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.622 0.725 . . . . 0.0 110.888 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.587 ' HB2' ' CZ ' ' A' ' 75' ' ' PHE . 54.3 Cg_endo -69.73 145.06 56.17 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.675 2.25 . . . . 0.0 112.377 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.3 t -121.48 135.4 61.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.088 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.587 ' CZ ' ' HB2' ' A' ' 73' ' ' PRO . 7.9 m-85 -133.07 -37.59 0.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.0 t70 43.9 29.63 0.33 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.489 ' O ' HG13 ' A' ' 29' ' ' VAL . 6.1 tt0 -83.33 163.03 20.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.5 t -124.1 120.87 33.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.581 ' CD2' ' HE3' ' A' ' 50' ' ' MET . 1.9 m-85 -100.86 167.69 10.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -154.07 149.87 27.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -150.76 125.95 9.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 54.9 p -74.17 90.52 2.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.812 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.4 p -143.7 135.44 23.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.106 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.492 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 0.7 OUTLIER -75.24 149.02 38.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.855 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.611 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 7.5 tp -53.12 -44.29 96.79 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.619 0.723 . . . . 0.0 110.922 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 65.3 Cg_exo -48.07 -37.9 31.21 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.66 2.24 . . . . 0.0 112.342 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 89' ' ' GLN . 3.9 mp0 -81.71 -69.79 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.501 HG22 HD12 ' A' ' 118' ' ' LEU . 1.5 p -40.16 -27.33 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.089 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 87' ' ' GLU . 56.1 mt-30 -60.28 -52.0 67.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -84.37 7.21 20.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.835 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 32.6 mtp85 -110.09 165.45 11.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.408 HG23 ' O ' ' A' ' 116' ' ' VAL . 10.9 m -127.06 145.38 50.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.403 ' HB2' HD11 ' A' ' 118' ' ' LEU . 4.6 tp -90.59 110.06 21.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.624 ' HB2' HD11 ' A' ' 53' ' ' LEU . 8.0 t70 -77.67 105.48 8.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.826 HG11 HD11 ' A' ' 15' ' ' LEU . 15.4 t -119.93 102.91 13.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.108 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -123.47 132.3 53.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.078 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 60.3 t -113.13 104.79 17.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.98 172.59 12.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.41 ' OD1' ' C ' ' A' ' 99' ' ' ASN . 9.1 t30 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.7 tp . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.82 0.343 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.877 ' O ' HD22 ' A' ' 10' ' ' LEU . 16.6 mt -92.16 -44.13 8.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.615 ' C ' HD22 ' A' ' 133' ' ' LEU . . . -172.83 151.03 13.16 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.494 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.682 ' N ' HD22 ' A' ' 133' ' ' LEU . 10.0 ptmm? -150.22 161.0 43.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.806 0.336 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 14.3 p -159.15 130.99 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.528 HD22 ' N ' ' A' ' 115' ' ' LEU . 2.9 mm? -97.53 148.93 22.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.408 ' O ' HG23 ' A' ' 92' ' ' THR . 93.7 t -128.79 134.86 63.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.133 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -87.48 113.08 22.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.501 HD12 HG22 ' A' ' 88' ' ' VAL . 9.9 mt -89.94 21.98 3.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -86.97 28.65 0.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.045 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.1 m -91.3 172.95 8.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.85 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -110.17 -28.62 8.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -82.78 48.94 1.4 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.408 HD23 ' CZ3' ' A' ' 127' ' ' TRP . 12.6 mt -88.29 -48.13 7.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -46.35 -38.16 8.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.108 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 24.4 mttp -77.19 -37.24 53.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 82.46 154.37 14.55 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.464 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' TRP . . . . . 0.408 ' CZ3' HD23 ' A' ' 123' ' ' LEU . 17.2 p90 -148.15 158.6 44.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.84 0.352 . . . . 0.0 110.939 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 85.6 m -129.0 134.23 48.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.125 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -167.82 155.86 8.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' TRP . . . . . 0.496 ' CE2' ' HB2' ' A' ' 14' ' ' GLN . 68.3 m95 -90.31 121.43 32.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -92.48 102.59 15.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -56.32 120.74 8.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.682 HD22 ' N ' ' A' ' 113' ' ' LYS . 20.4 mt -67.39 153.11 44.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 35.3 p -144.5 170.23 16.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -76.28 158.5 31.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.427 ' CB ' ' HG3' ' A' ' 12' ' ' GLN . 64.9 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.618 0.723 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -25.11 28.77 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.676 2.251 . . . . 0.0 112.33 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.462 HD22 ' O ' ' A' ' 111' ' ' LEU . 95.6 mt -100.79 -34.39 9.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 141.6 -176.42 21.88 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.427 ' HG3' ' CB ' ' A' ' 8' ' ' SER . 36.0 mt-30 -141.16 158.45 43.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.78 0.324 . . . . 0.0 110.944 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.3 tt -148.62 131.23 6.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.084 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.506 ' HB2' ' CE2' ' A' ' 130' ' ' TRP . 24.0 tt0 -98.78 119.13 37.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.816 HD11 HG11 ' A' ' 95' ' ' VAL . 46.4 mt -134.2 130.35 37.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 46.4 m -97.81 110.64 23.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.595 ' CD1' HG11 ' A' ' 116' ' ' VAL . 26.2 mt -99.72 123.07 52.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.155 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -152.59 111.59 3.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.43 ' ND1' ' C ' ' A' ' 19' ' ' HIS . 3.9 t-80 -103.42 117.65 34.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.824 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 24' ' ' ASN . 9.7 t -84.55 124.93 31.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 60.9 p -69.65 -35.22 75.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.821 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -66.45 -48.73 69.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.943 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.453 ' C ' ' CG ' ' A' ' 24' ' ' ASN . 24.8 mtp180 -87.25 -14.24 41.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.453 ' CG ' ' C ' ' A' ' 23' ' ' ARG . 0.7 OUTLIER 48.8 52.64 13.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.82 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.411 ' HE3' ' NH2' ' A' ' 23' ' ' ARG . 30.3 mttt -137.08 145.79 44.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.411 HD13 HG21 ' A' ' 88' ' ' VAL . 14.7 tp -99.32 108.71 21.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.422 HD12 ' N ' ' A' ' 27' ' ' ILE . 3.9 mp -100.17 126.61 53.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 18.0 t -131.65 116.01 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.8 t -94.46 148.6 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.4 t -125.47 84.34 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.176 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -51.71 -73.62 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -172.83 167.39 5.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.452 ' CB ' HD11 ' A' ' 36' ' ' LEU . 71.6 m -114.59 154.43 28.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -143.77 165.08 28.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.0 m120 52.03 48.67 22.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.452 HD11 ' CB ' ' A' ' 33' ' ' CYS . 76.3 mt -99.56 93.62 5.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.952 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.624 HD12 ' C ' ' A' ' 37' ' ' ILE . 1.9 pp -51.64 149.08 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -114.99 130.6 56.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.068 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -48.24 -28.2 2.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 35.4 t -147.19 129.37 15.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -43.94 -40.21 4.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -38.94 -40.52 0.66 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 136.18 162.63 9.6 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.448 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.1 m -149.16 172.09 15.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.865 0.364 . . . . 0.0 110.866 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.43 84.97 15.38 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.636 0.731 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 144.93 55.58 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.666 2.244 . . . . 0.0 112.395 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.533 ' HB3' HG23 ' A' ' 66' ' ' VAL . 14.0 p90 -156.29 142.8 18.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.623 HG22 HG22 ' A' ' 97' ' ' VAL . 46.3 t -98.71 140.73 17.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.127 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.406 ' HD2' ' CE1' ' A' ' 51' ' ' TYR . 56.1 ttp180 -123.18 160.96 25.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.423 ' HE1' ' CD1' ' A' ' 79' ' ' PHE . 51.2 mtm -142.78 120.84 12.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.406 ' CE1' ' HD2' ' A' ' 49' ' ' ARG . 3.5 m-85 -128.76 126.83 40.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 52' ' ' LEU . 12.6 tp -78.06 86.56 4.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.903 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.533 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 50.1 mt -67.74 155.46 91.42 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.606 0.717 . . . . 0.0 110.883 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.6 Cg_endo -69.76 -50.35 0.19 OUTLIER 'Cis proline' 0 C--O 1.232 0.184 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.343 -0.163 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 54' ' ' PRO . 3.2 m-20 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 47.8 mmt-85 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.863 0.363 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.2 ptmt -130.79 170.2 14.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 58.2 p -98.25 168.04 10.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.159 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -52.57 150.55 4.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.683 HG13 ' O ' ' A' ' 66' ' ' VAL . 10.4 p -111.55 99.53 8.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.096 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.4 m -73.95 152.65 40.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -120.89 161.82 20.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp 52.4 40.64 29.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.6 t -156.27 148.69 23.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.146 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 34.3 mt -105.67 -17.21 14.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -123.09 80.8 51.42 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.608 0.718 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 154.86 67.33 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.386 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 59.4 t -135.3 128.24 48.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.106 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -121.44 -64.06 1.26 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.9 t70 69.16 34.76 2.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.932 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -100.67 156.58 17.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.1 t -126.63 120.86 30.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.831 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.432 ' CD1' ' N ' ' A' ' 79' ' ' PHE . 3.3 m-85 -98.02 171.8 8.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -152.29 144.73 24.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.404 ' O ' HG12 ' A' ' 83' ' ' VAL . 7.2 m-85 -142.32 121.25 12.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 34.1 p -68.2 89.86 0.33 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.404 HG12 ' O ' ' A' ' 81' ' ' PHE . 2.8 p -143.7 136.13 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.435 ' C ' ' HD2' ' A' ' 86' ' ' PRO . 1.0 OUTLIER -74.77 144.18 43.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.855 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.566 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 3.2 tp -49.41 -46.28 77.74 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.606 0.717 . . . . 0.0 110.919 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.566 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 65.3 Cg_exo -47.96 -40.91 33.24 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.701 2.267 . . . . 0.0 112.333 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -79.69 -49.64 11.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.55 HG12 ' HA ' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -62.77 -16.87 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.449 ' O ' ' HB2' ' A' ' 119' ' ' ALA . 12.6 mt-30 -61.59 -54.33 44.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.942 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.12 -30.68 58.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 85.9 mtt-85 -65.74 172.6 3.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.7 m -141.9 144.58 33.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.0 tp -87.15 109.78 19.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.5 101.87 10.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.816 HG11 HD11 ' A' ' 15' ' ' LEU . 18.2 t -112.87 109.61 29.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -132.51 131.63 41.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.107 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.623 HG22 HG22 ' A' ' 48' ' ' VAL . 84.1 t -107.05 105.73 19.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.01 177.66 4.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.1 p30 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.932 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.0 tp . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.813 0.339 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.462 ' O ' HD22 ' A' ' 10' ' ' LEU . 44.5 mt -82.09 -41.56 20.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 179.12 152.94 11.0 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.491 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.488 ' N ' HD22 ' A' ' 133' ' ' LEU . 13.8 ptmt -153.02 153.21 32.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.814 0.34 . . . . 0.0 110.877 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.722 HG21 ' HB3' ' A' ' 131' ' ' TYR . 7.3 p -148.19 126.37 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.157 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -92.5 147.96 22.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.595 HG11 ' CD1' ' A' ' 17' ' ' ILE . 69.7 t -131.87 118.96 39.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.087 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.91 111.13 10.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.498 HD22 HG21 ' A' ' 17' ' ' ILE . 11.2 mt -87.01 19.15 3.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' ' 89' ' ' GLN . . . -82.85 8.52 12.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 96.6 p -74.73 165.03 25.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -104.05 -8.58 19.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -75.03 -9.15 58.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 12.6 mt -51.29 -32.74 25.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.401 ' HB3' ' HD2' ' A' ' 125' ' ' LYS . . . -50.66 -29.64 11.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.401 ' HD2' ' HB3' ' A' ' 124' ' ' ALA . 0.9 OUTLIER -113.38 -51.91 2.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 108.78 156.39 17.86 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.486 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 36.5 p90 -145.93 154.98 42.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.806 0.336 . . . . 0.0 110.965 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 27.2 m -120.66 130.82 54.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.104 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -163.63 160.39 22.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.941 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' TRP . . . . . 0.506 ' CE2' ' HB2' ' A' ' 14' ' ' GLN . 81.0 m95 -93.75 120.04 33.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' TYR . . . . . 0.722 ' HB3' HG21 ' A' ' 114' ' ' VAL . 23.0 m-85 -88.93 102.35 14.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -56.99 117.8 4.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.488 HD22 ' N ' ' A' ' 113' ' ' LYS . 14.1 mt -64.72 133.19 51.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 81.6 p -121.73 -179.75 4.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -85.65 164.08 17.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.867 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 62.8 m . . . . . 0 C--O 1.231 0.09 0 CA-C-O 121.664 0.745 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -20.37 34.85 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.651 2.234 . . . . 0.0 112.303 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.937 HD22 ' O ' ' A' ' 111' ' ' LEU . 95.8 mt -92.98 -46.04 7.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 146.64 -169.65 27.78 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.516 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -144.16 158.86 43.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.792 0.33 . . . . 0.0 110.929 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.664 HD12 ' SG ' ' A' ' 33' ' ' CYS . 2.9 tt -154.36 134.77 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.447 ' OE1' ' CD1' ' A' ' 130' ' ' TRP . 6.4 tt0 -104.46 123.87 48.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.906 HD11 HG11 ' A' ' 95' ' ' VAL . 21.7 mt -132.6 124.31 28.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.9 m -88.22 108.08 19.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.187 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.442 ' CD1' HG11 ' A' ' 116' ' ' VAL . 53.3 mt -101.52 122.23 53.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.143 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.451 ' HG3' ' CA ' ' A' ' 126' ' ' GLY . 13.7 ttm105 -151.53 106.26 3.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -98.42 116.22 30.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.823 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 24' ' ' ASN . 14.9 t -81.95 129.83 34.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.5 p -73.36 -43.32 60.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -61.13 -40.4 93.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 66.5 mtt180 -92.7 -24.03 18.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 20' ' ' SER . 12.7 m-80 56.38 51.89 10.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.2 mttm -132.18 150.04 52.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.421 HD21 HD13 ' A' ' 93' ' ' LEU . 24.0 tp -105.5 104.46 14.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.462 HG23 ' O ' ' A' ' 79' ' ' PHE . 5.4 mp -100.55 137.46 28.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.116 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.9 t -137.17 116.12 14.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.165 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.5 t -96.63 129.78 46.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.5 t -108.65 83.49 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.126 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.547 ' O ' HG23 ' A' ' 74' ' ' VAL . 96.6 m-70 -51.63 -73.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.836 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.61 ' HB2' HG23 ' A' ' 74' ' ' VAL . . . -174.57 159.01 2.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.044 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.664 ' SG ' HD12 ' A' ' 13' ' ' ILE . 38.2 m -106.2 164.01 12.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.481 ' HD3' ' CH2' ' A' ' 130' ' ' TRP . 7.3 ptm180 -149.95 161.03 43.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 59.16 41.73 19.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.9 mt -95.02 94.03 7.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.649 HD11 HD22 ' A' ' 111' ' ' LEU . 2.2 pp -50.59 160.37 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -122.86 134.84 54.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -59.83 -22.58 62.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.2 t -154.54 119.79 5.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.845 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 42' ' ' ASP . 18.6 tt0 -37.64 -41.48 0.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 41' ' ' GLU . 5.1 t0 -37.02 -47.47 0.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 150.39 146.65 4.37 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.516 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.3 p -128.78 163.68 24.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.884 0.373 . . . . 0.0 110.86 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.8 81.04 6.97 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.621 0.724 . . . . 0.0 110.875 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 148.18 64.44 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.704 2.269 . . . . 0.0 112.319 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.693 ' HB3' HG22 ' A' ' 66' ' ' VAL . 21.8 p90 -161.96 154.48 19.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.6 t -104.33 142.5 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.116 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 29.7 ttt180 -131.04 124.84 31.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 69.8 mtm -115.89 118.47 33.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -124.63 122.94 38.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 52' ' ' LEU . 9.3 tp -74.8 88.43 2.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.543 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 83.8 mt -67.78 153.56 94.93 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.611 0.72 . . . . 0.0 110.936 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.8 Cg_endo -69.72 -38.41 1.63 Allowed 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.345 -0.14 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.454 ' C ' ' O ' ' A' ' 54' ' ' PRO . 13.8 t70 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.896 0.379 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.1 pttm -145.6 164.38 31.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.454 HG22 ' CZ ' ' A' ' 79' ' ' PHE . 10.2 p -97.95 175.24 6.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.11 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.433 ' CG ' ' N ' ' A' ' 66' ' ' VAL . 86.5 t60 -57.35 166.56 1.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.693 HG22 ' HB3' ' A' ' 47' ' ' TYR . 23.3 t -111.32 99.64 9.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.541 ' HB3' HG21 ' A' ' 70' ' ' THR . 20.0 m -66.24 142.48 57.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.7 mtpt -117.34 154.72 30.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.4 mptt 46.25 54.14 8.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.884 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.541 HG21 ' HB3' ' A' ' 67' ' ' SER . 11.9 t -162.78 149.71 13.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 46.0 mt -107.96 -32.97 7.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.886 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -107.55 75.69 0.49 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.606 0.717 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 152.49 69.53 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.701 2.268 . . . . 0.0 112.313 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.61 HG23 ' HB2' ' A' ' 32' ' ' ALA . 2.5 p -147.54 120.13 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.141 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.45 ' O ' ' CG ' ' A' ' 76' ' ' ASP . 0.8 OUTLIER -110.85 -32.68 6.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.45 ' CG ' ' O ' ' A' ' 75' ' ' PHE . 0.7 OUTLIER 47.23 39.42 8.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -97.65 145.11 26.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 37.3 t -113.74 113.09 24.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.462 ' O ' HG23 ' A' ' 27' ' ' ILE . 19.8 m-85 -96.74 170.37 9.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.88 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -153.7 143.39 21.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.877 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -137.09 126.93 25.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 69.1 p -74.35 90.26 2.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.826 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.7 p -143.56 134.63 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.173 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.465 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 1.5 m -74.25 147.97 41.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.607 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 4.4 tp -52.47 -44.63 94.77 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.59 0.71 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.607 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 65.6 Cg_exo -48.02 -41.58 33.03 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.664 2.243 . . . . 0.0 112.333 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -79.16 -64.89 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.625 HG22 HD12 ' A' ' 118' ' ' LEU . 1.3 p -42.12 -40.74 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.112 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.462 ' N ' ' CG1' ' A' ' 88' ' ' VAL . 65.2 mt-30 -45.26 -43.22 10.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 87.2 mtt-85 -84.84 -20.35 31.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 55.5 mtt180 -82.67 168.39 17.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 25.9 m -135.75 145.74 46.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.178 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.421 HD13 HD21 ' A' ' 26' ' ' LEU . 5.3 tp -91.2 96.57 10.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.645 ' HA ' HD13 ' A' ' 115' ' ' LEU . 23.5 t70 -71.63 99.31 2.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.906 HG11 HD11 ' A' ' 15' ' ' LEU . 11.6 t -108.6 106.63 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.115 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -122.89 125.62 45.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.133 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 43.3 t -108.68 101.56 12.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.1 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.76 -176.75 3.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.483 ' HB3' HD11 ' A' ' 111' ' ' LEU . 6.6 p30 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 14.5 tp . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.836 0.35 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.937 ' O ' HD22 ' A' ' 10' ' ' LEU . 54.5 mt -89.88 -52.13 5.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.617 ' C ' HD22 ' A' ' 133' ' ' LEU . . . -163.77 147.98 13.95 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.475 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -149.36 160.09 43.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.814 0.34 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.558 HG11 ' HB3' ' A' ' 131' ' ' TYR . 7.2 p -154.9 127.07 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.143 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.645 HD13 ' HA ' ' A' ' 94' ' ' ASP . 3.5 mm? -90.85 146.37 23.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.442 HG11 ' CD1' ' A' ' 17' ' ' ILE . 92.2 t -128.11 116.99 44.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.104 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.41 111.01 8.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.077 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.625 HD12 HG22 ' A' ' 88' ' ' VAL . 11.9 mt -83.58 19.57 1.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.938 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -83.51 19.41 1.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 42.0 m -83.23 161.91 21.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -106.0 -17.9 14.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -90.53 41.12 1.04 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 13.5 mt -83.49 -49.87 8.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -42.0 -42.37 2.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.445 ' HG3' ' N ' ' A' ' 126' ' ' GLY . 37.0 pttt -71.89 -43.69 64.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' GLY . . . . . 0.451 ' CA ' ' HG3' ' A' ' 18' ' ' ARG . . . 89.99 147.25 16.81 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 15.3 p90 -144.92 156.69 44.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.844 0.354 . . . . 0.0 110.878 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 98.9 m -130.28 131.85 45.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -161.04 160.48 30.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.931 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' TRP . . . . . 0.481 ' CH2' ' HD3' ' A' ' 34' ' ' ARG . 73.8 m95 -93.64 109.94 21.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.944 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' TYR . . . . . 0.558 ' HB3' HG11 ' A' ' 114' ' ' VAL . 26.7 m-85 -80.87 101.49 9.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -61.31 115.26 3.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.617 HD22 ' C ' ' A' ' 112' ' ' GLY . 30.1 mt -62.86 135.18 57.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.491 ' CA ' HD12 ' A' ' 10' ' ' LEU . 44.7 p -124.66 171.69 9.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -70.91 165.25 23.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 22.9 p-10 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.843 179.976 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.415 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . 19.5 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.646 0.736 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 8' ' ' SER . 53.5 Cg_endo -69.79 -23.28 30.82 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.674 2.249 . . . . 0.0 112.316 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.493 HD11 ' HG3' ' A' ' 135' ' ' GLU . 63.3 mt -101.22 -41.79 6.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.458 ' CA ' ' O ' ' A' ' 35' ' ' ASN . . . 142.73 175.93 16.35 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.457 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -130.1 172.53 11.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.785 0.326 . . . . 0.0 110.94 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.566 HD11 HD21 ' A' ' 15' ' ' LEU . 13.5 tt -163.48 130.33 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.131 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.605 ' O ' HD23 ' A' ' 15' ' ' LEU . 7.1 tt0 -99.43 122.46 42.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.951 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.891 HD22 HG22 ' A' ' 30' ' ' VAL . 39.5 mt -135.32 117.4 15.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.7 m -79.82 101.95 8.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.598 HG21 HD22 ' A' ' 118' ' ' LEU . 40.2 mt -96.84 111.7 27.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.132 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.0 ttm180 -143.44 125.61 15.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 38.6 t-80 -103.13 101.98 11.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.8 m -66.39 122.18 16.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 72.5 p -69.96 -46.23 65.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -63.36 -47.6 81.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.4 mtp85 -79.05 -22.53 45.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.5 m120 56.44 47.11 19.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.5 mttt -139.65 155.16 47.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.512 HD21 HD13 ' A' ' 93' ' ' LEU . 19.6 tp -101.36 104.1 15.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.893 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.7 mp -91.49 124.5 44.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.166 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 99.5 t -128.04 108.6 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.172 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.8 t -95.82 136.98 25.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.891 HG22 HD22 ' A' ' 15' ' ' LEU . 61.6 t -116.74 92.04 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -57.06 -72.21 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -172.27 161.09 5.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.112 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 9.0 m -113.81 154.55 27.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.1 ptt180 -142.66 174.13 10.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.458 ' O ' ' CA ' ' A' ' 11' ' ' GLY . 91.4 m-20 52.1 49.13 21.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.929 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.411 ' O ' HD22 ' A' ' 71' ' ' LEU . 89.3 mt -108.87 89.24 2.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.405 HD12 ' C ' ' A' ' 37' ' ' ILE . 2.7 pp -46.74 154.02 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.862 ' HB2' HD21 ' A' ' 71' ' ' LEU . . . -109.88 137.97 46.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.075 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -62.29 -21.95 65.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 41' ' ' GLU . 4.0 t -158.02 122.77 4.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 42' ' ' ASP . 10.5 tp10 -35.74 -43.46 0.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 41' ' ' GLU . 38.5 m-20 -35.33 -48.79 0.48 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 148.04 137.08 2.84 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.497 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.8 p -115.48 155.89 26.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 0.0 110.819 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.14 81.12 3.59 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.613 0.721 . . . . 0.0 110.824 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 137.01 34.58 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.688 2.258 . . . . 0.0 112.385 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.585 ' CB ' HG22 ' A' ' 66' ' ' VAL . 12.1 p90 -146.75 135.49 22.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.949 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 93.6 t -88.07 141.19 14.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.127 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.421 ' HD3' ' CE1' ' A' ' 51' ' ' TYR . 9.9 ttm180 -131.41 130.2 42.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.566 ' O ' ' CD1' ' A' ' 51' ' ' TYR . 63.9 mtm -113.53 151.48 31.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.566 ' CD1' ' O ' ' A' ' 50' ' ' MET . 12.3 m-85 -158.04 126.02 5.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.906 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 23.2 tp -85.37 80.7 9.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.959 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.528 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 1.5 mm? -61.76 154.49 66.52 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.587 0.708 . . . . 0.0 110.914 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.1 Cg_endo -69.82 -51.18 0.16 OUTLIER 'Cis proline' 0 C--O 1.231 0.148 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.323 -0.075 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.7 t0 . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.864 179.895 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.562 ' HB3' ' CD2' ' A' ' 79' ' ' PHE . 25.2 mmt85 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.894 0.378 . . . . 0.0 110.841 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -117.96 168.15 10.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 51.7 p -100.36 161.02 13.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 29.7 m80 -52.43 154.51 2.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.585 HG22 ' CB ' ' A' ' 47' ' ' TYR . 58.9 t -99.11 110.13 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.105 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 35.6 m -85.76 142.71 28.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -120.93 159.45 25.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.6 mptt 57.28 44.59 21.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.6 t -168.07 137.63 2.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.117 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.862 HD21 ' HB2' ' A' ' 38' ' ' ALA . 77.4 mt -92.34 -24.59 18.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -114.64 85.67 11.66 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.65 0.738 . . . . 0.0 110.93 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.455 ' HB2' ' CZ ' ' A' ' 75' ' ' PHE . 53.7 Cg_endo -69.77 155.11 66.76 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.694 2.263 . . . . 0.0 112.375 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 90.4 t -138.09 118.91 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.179 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.455 ' CZ ' ' HB2' ' A' ' 73' ' ' PRO . 1.4 m-85 -117.06 -53.26 2.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.2 t70 60.11 33.35 21.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -94.05 160.75 14.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 41.7 t -130.64 121.79 26.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.562 ' CD2' ' HB3' ' A' ' 62' ' ' ARG . 23.3 m-85 -105.92 170.04 8.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.903 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -147.94 155.16 41.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -148.21 129.94 15.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 55.1 p -76.79 91.04 3.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.7 p -143.48 135.16 23.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.103 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.492 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 1.0 OUTLIER -75.22 149.26 38.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.832 -179.81 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.824 HD13 ' C ' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -52.81 -44.58 96.38 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.604 0.716 . . . . 0.0 110.904 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.738 ' N ' HD13 ' A' ' 85' ' ' LEU . 65.0 Cg_exo -47.92 -41.63 32.31 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.654 2.236 . . . . 0.0 112.362 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 89' ' ' GLN . 1.0 OUTLIER -80.92 -60.15 2.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.521 HG12 ' O ' ' A' ' 85' ' ' LEU . 0.7 OUTLIER -38.16 -26.67 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.104 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.762 ' NE2' HD11 ' A' ' 85' ' ' LEU . 73.0 mt-30 -62.58 -54.55 37.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -75.32 -18.14 60.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 76.8 mtt-85 -79.03 171.15 15.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.9 m -141.52 144.59 34.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.148 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.512 HD13 HD21 ' A' ' 26' ' ' LEU . 3.9 tp -95.46 95.86 8.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.62 99.97 1.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.905 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.788 HG11 HD11 ' A' ' 15' ' ' LEU . 39.3 t -108.85 101.23 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -119.61 124.53 46.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.084 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 70.5 t -108.07 102.2 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.127 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.603 ' NZ ' HD13 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -135.19 176.46 8.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.908 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.2 p30 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 179.932 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.603 HD13 ' NZ ' ' A' ' 98' ' ' LYS . 3.8 tp . . . . . 0 C--O 1.233 0.201 0 CA-C-O 120.79 0.329 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 96.2 mt -94.18 -42.52 8.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -175.64 132.18 2.08 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.443 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -134.45 154.89 51.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.815 0.34 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.448 HG13 ' O ' ' A' ' 114' ' ' VAL . 11.8 p -154.3 123.82 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.177 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -90.77 144.59 25.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 86.1 t -128.55 115.61 38.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.142 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.76 111.8 9.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.598 HD22 HG21 ' A' ' 17' ' ' ILE . 12.0 mt -84.52 26.82 0.76 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -90.99 19.45 5.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.117 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.1 m -90.03 154.2 19.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -96.96 24.56 6.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.903 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -104.91 -11.44 16.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 19.5 mt -54.27 -36.18 63.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -42.96 -29.54 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -111.69 -56.74 2.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 114.48 152.46 10.49 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 28.6 p90 -145.83 156.59 43.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.832 0.349 . . . . 0.0 110.923 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 97.3 m -129.05 132.69 47.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.116 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -164.79 157.82 16.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' TRP . . . . . . . . . . . . . 49.3 m95 -89.18 100.8 13.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -70.86 102.72 2.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.948 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -58.97 115.38 3.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 75.0 mt -64.51 143.77 57.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 79.3 p -125.82 174.38 8.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.493 ' HG3' HD11 ' A' ' 10' ' ' LEU . 56.6 mt-10 -78.63 169.75 17.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.3 p30 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 179.995 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.9 p . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.671 0.748 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.86 -27.57 25.85 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.68 2.253 . . . . 0.0 112.346 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.5 HD11 ' HG3' ' A' ' 135' ' ' GLU . 71.4 mt -81.65 -48.0 12.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.931 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 143.02 -178.81 21.04 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.457 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -138.16 175.08 9.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.782 0.325 . . . . 0.0 110.937 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.9 tt -155.9 131.57 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.129 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.415 ' HB2' ' CE2' ' A' ' 130' ' ' TRP . 13.4 tt0 -98.86 119.29 37.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.588 HD11 HG11 ' A' ' 95' ' ' VAL . 11.2 mt -136.61 138.61 41.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 97.0 m -104.6 105.72 15.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.507 ' CD1' HG11 ' A' ' 116' ' ' VAL . 28.1 mt -97.71 125.41 50.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.079 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 38.0 ttt180 -155.65 110.55 2.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.457 ' NE2' ' N ' ' A' ' 85' ' ' LEU . 8.4 t-80 -98.04 113.37 25.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.814 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.6 t -79.51 131.67 36.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.9 p -76.34 -30.74 57.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.835 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -73.56 -48.0 36.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.443 ' O ' ' CG ' ' A' ' 24' ' ' ASN . 13.6 mmm-85 -87.86 -12.59 44.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.443 ' CG ' ' O ' ' A' ' 23' ' ' ARG . 5.6 p-10 46.56 50.48 12.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.5 mttm -133.77 150.57 51.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.472 HD13 HG21 ' A' ' 88' ' ' VAL . 19.4 tp -105.54 107.09 17.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.3 mp -95.77 125.92 48.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.161 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.441 HG11 HD21 ' A' ' 93' ' ' LEU . 42.3 t -128.58 106.93 15.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.169 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.452 HG22 ' CB ' ' A' ' 78' ' ' SER . 49.1 t -92.8 138.01 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.097 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.515 HG22 HD22 ' A' ' 15' ' ' LEU . 82.4 t -114.68 79.72 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.119 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -44.75 -72.52 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -172.13 163.37 5.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.081 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 63.3 m -115.4 144.22 44.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.826 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.5 ptt180 -136.38 163.81 29.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 61.46 45.03 8.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 76.9 mt -101.34 94.95 6.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.942 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.642 ' O ' HD12 ' A' ' 37' ' ' ILE . 2.7 pp -53.94 136.25 15.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.589 ' HB2' ' CD2' ' A' ' 71' ' ' LEU . . . -98.98 132.27 44.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -52.61 -34.78 52.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.4 t -134.4 120.78 20.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.853 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 42' ' ' ASP . 44.2 mt-10 -37.45 -48.85 0.99 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 41' ' ' GLU . 1.3 m-20 -36.25 -46.0 0.49 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 157.58 164.23 13.57 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.471 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.433 ' HB3' ' HB1' ' A' ' 38' ' ' ALA . 59.0 p -146.0 159.36 43.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.863 0.363 . . . . 0.0 110.838 -179.726 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.471 ' HB2' ' CG1' ' A' ' 66' ' ' VAL . 17.7 p30 -113.14 82.63 5.66 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.626 0.727 . . . . 0.0 110.867 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 149.53 66.72 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.707 2.272 . . . . 0.0 112.344 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.446 ' HB3' HG22 ' A' ' 66' ' ' VAL . 6.2 p90 -161.1 143.15 12.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.866 HG22 HG22 ' A' ' 97' ' ' VAL . 65.8 t -102.01 147.68 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.123 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -133.8 136.0 44.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.862 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.447 ' HE1' ' CD1' ' A' ' 79' ' ' PHE . 50.7 mtm -114.42 143.86 44.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -151.04 114.18 4.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.415 ' O ' ' O ' ' A' ' 55' ' ' ASP . 15.1 tp -70.35 79.54 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.534 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 79.0 mt -57.89 155.54 22.82 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.584 0.707 . . . . 0.0 110.906 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.7 Cg_endo -69.77 -51.62 0.16 OUTLIER 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.65 -1.813 . . . . 0.0 112.38 -0.152 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.415 ' O ' ' O ' ' A' ' 52' ' ' LEU . 5.1 m-20 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.903 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.572 ' HB3' ' CD2' ' A' ' 79' ' ' PHE . 15.1 mmt85 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.884 0.373 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.04 164.08 14.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 77.8 p -103.79 166.44 10.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.148 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 60.5 t60 -51.95 158.14 1.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.471 ' CG1' ' HB2' ' A' ' 45' ' ' ASP . 70.8 t -106.51 102.28 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.419 ' HB3' HG21 ' A' ' 70' ' ' THR . 3.1 m -68.35 142.74 55.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.9 mmtt -119.32 144.84 46.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm 57.99 46.33 16.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.419 HG21 ' HB3' ' A' ' 67' ' ' SER . 13.8 t -161.65 153.39 19.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.589 ' CD2' ' HB2' ' A' ' 38' ' ' ALA . 94.0 mt -104.95 -27.8 11.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -113.81 89.35 15.93 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.636 0.732 . . . . 0.0 110.908 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.449 ' HB2' ' CZ ' ' A' ' 75' ' ' PHE . 53.4 Cg_endo -69.75 149.93 67.6 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.706 2.27 . . . . 0.0 112.335 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 46.2 t -131.33 113.19 22.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.186 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.449 ' CZ ' ' HB2' ' A' ' 73' ' ' PRO . 11.3 m-85 -110.98 -56.53 2.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.5 t70 63.72 36.76 10.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -100.76 160.33 14.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.452 ' CB ' HG22 ' A' ' 29' ' ' VAL . 29.4 t -130.74 117.19 19.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.572 ' CD2' ' HB3' ' A' ' 62' ' ' ARG . 32.4 m-85 -100.06 161.19 13.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -141.32 153.31 45.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -146.47 132.73 19.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 63.8 p -77.27 91.43 3.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.88 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.5 p -143.51 132.48 19.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.126 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.48 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 1.1 m -74.7 147.72 41.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.846 HD13 ' C ' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -52.97 -44.37 96.7 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.655 0.741 . . . . 0.0 110.967 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.724 ' N ' HD13 ' A' ' 85' ' ' LEU . 65.5 Cg_exo -48.06 -37.58 30.48 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.656 2.237 . . . . 0.0 112.355 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 89' ' ' GLN . 5.2 mm-40 -85.62 -59.64 2.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.915 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.489 HG12 ' O ' ' A' ' 85' ' ' LEU . 0.9 OUTLIER -38.26 -26.46 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.781 ' NE2' HD11 ' A' ' 85' ' ' LEU . 70.6 mt-30 -61.51 -48.39 81.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 76.0 mtt180 -78.83 -22.38 46.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 67.2 mtt-85 -78.32 171.66 14.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.6 m -145.59 136.95 25.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.195 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.441 HD21 HG11 ' A' ' 28' ' ' VAL . 3.0 tp -82.9 100.25 10.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.508 ' HA ' HD13 ' A' ' 115' ' ' LEU . 13.1 t70 -76.06 100.44 4.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.588 HG11 HD11 ' A' ' 15' ' ' LEU . 11.7 t -108.79 108.96 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -127.9 126.47 41.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.103 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.866 HG22 HG22 ' A' ' 48' ' ' VAL . 90.7 t -104.06 104.51 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.14 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 35.7 mttt -122.22 176.04 6.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.689 ' HB3' HD11 ' A' ' 111' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.8 tp . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.861 0.362 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.689 HD11 ' HB3' ' A' ' 99' ' ' ASN . 76.9 mt -85.37 -34.48 21.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.451 ' C ' HD22 ' A' ' 133' ' ' LEU . . . 175.79 150.92 8.32 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.442 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.433 ' N ' HD22 ' A' ' 133' ' ' LEU . 4.7 ptmm? -156.71 150.23 24.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.348 . . . . 0.0 110.902 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.453 HG13 ' O ' ' A' ' 114' ' ' VAL . 14.8 p -154.67 125.41 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.165 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.508 HD13 ' HA ' ' A' ' 94' ' ' ASP . 1.1 mm? -88.53 155.6 19.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.953 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.507 HG11 ' CD1' ' A' ' 17' ' ' ILE . 75.6 t -134.13 108.65 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.57 109.96 3.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 6.7 mt -85.39 26.27 0.93 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -87.55 27.89 1.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.081 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 56.5 m -93.17 160.42 14.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -101.47 -17.02 16.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -91.76 41.65 1.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.401 HD23 ' CZ3' ' A' ' 127' ' ' TRP . 11.6 mt -83.15 -51.82 7.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -40.61 -41.51 1.5 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 32.9 mtpt -72.07 -45.49 60.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 91.64 153.13 29.33 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.472 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' TRP . . . . . 0.401 ' CZ3' HD23 ' A' ' 123' ' ' LEU . 15.2 p90 -147.87 159.73 43.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.885 0.374 . . . . 0.0 110.895 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 88.5 m -133.87 130.01 37.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.152 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -165.17 163.56 20.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' TRP . . . . . 0.415 ' CE2' ' HB2' ' A' ' 14' ' ' GLN . 85.1 m95 -93.8 124.24 37.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.947 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -95.25 101.2 12.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.96 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.411 ' O ' ' CG ' ' A' ' 132' ' ' ASP . 0.7 OUTLIER -56.91 115.28 2.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.451 HD22 ' C ' ' A' ' 112' ' ' GLY . 55.5 mt -63.62 143.24 57.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 76.6 p -131.48 158.55 40.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.5 ' HG3' HD11 ' A' ' 10' ' ' LEU . 39.4 mt-10 -71.31 154.42 41.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 12.0 t70 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 179.985 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.3 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.644 0.735 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -29.12 24.66 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.682 2.254 . . . . 0.0 112.377 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.8 mt -76.36 -52.7 9.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 148.59 -174.96 28.09 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.512 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -136.19 175.01 9.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.783 0.325 . . . . 0.0 110.919 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.664 HD11 HD21 ' A' ' 15' ' ' LEU . 15.1 tt -161.54 134.93 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.173 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.524 ' HB2' ' CZ2' ' A' ' 130' ' ' TRP . 23.4 tt0 -99.46 119.79 38.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.664 HD21 HD11 ' A' ' 13' ' ' ILE . 13.0 mt -137.03 138.75 40.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.951 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 90.4 m -103.93 109.1 20.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.513 HD12 HG11 ' A' ' 116' ' ' VAL . 78.9 mt -100.76 118.2 47.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.125 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 38.1 ttp180 -147.82 115.82 6.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.2 t-80 -97.97 107.01 19.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.802 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.4 m -74.6 120.94 20.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.844 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 25.0 p -68.12 -54.69 16.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.858 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -51.56 -44.09 62.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.7 mmm180 -83.26 -20.23 34.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.7 m120 55.07 45.9 25.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.0 mttm -137.49 158.48 44.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 39.0 tp -106.32 108.53 20.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.5 mp -96.98 133.07 39.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 92.2 t -139.82 109.8 3.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.461 HG22 ' HB2' ' A' ' 78' ' ' SER . 57.3 t -91.41 142.55 12.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.149 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.579 HG22 HD22 ' A' ' 15' ' ' LEU . 57.7 t -121.72 94.57 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.161 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -61.13 -73.54 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -171.81 163.56 6.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.575 ' SG ' HD12 ' A' ' 13' ' ' ILE . 63.1 m -112.88 147.2 37.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -139.43 165.07 28.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 62.22 39.25 12.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 48.2 mt -96.0 106.88 19.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.556 ' O ' HD12 ' A' ' 37' ' ' ILE . 2.5 pp -61.6 139.65 20.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.652 ' HB2' HD21 ' A' ' 71' ' ' LEU . . . -99.01 113.6 25.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.127 179.781 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -41.17 -36.35 0.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 41' ' ' GLU . 34.9 t -135.22 116.9 14.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 40' ' ' SER . 12.8 mt-10 -35.55 -45.58 0.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -38.9 -48.54 1.58 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 153.76 139.86 2.94 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.522 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 79.0 p -120.75 159.77 24.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.868 0.366 . . . . 0.0 110.858 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.23 81.72 1.38 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.604 0.716 . . . . 0.0 110.862 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 138.59 38.27 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.709 2.272 . . . . 0.0 112.329 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.414 ' CD1' ' O ' ' A' ' 98' ' ' LYS . 3.6 p90 -156.05 136.32 13.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.899 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.648 HG22 HG22 ' A' ' 97' ' ' VAL . 78.9 t -88.77 149.71 3.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.132 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.0 ttt180 -137.01 134.76 36.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.431 ' HE1' ' CD1' ' A' ' 79' ' ' PHE . 66.2 mtm -119.43 137.96 53.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.863 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -148.5 113.65 5.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.43 HD21 HH11 ' A' ' 91' ' ' ARG . 22.1 tp -71.49 88.76 0.92 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.958 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.54 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 88.2 mt -62.64 152.06 82.35 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.611 0.719 . . . . 0.0 110.903 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.6 Cg_endo -69.75 -41.54 0.89 Allowed 'Cis proline' 0 C--N 1.341 0.161 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.336 -0.135 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 179.914 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.522 ' HG3' ' CD2' ' A' ' 79' ' ' PHE . 8.2 tpp180 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.836 0.35 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.6 pttp -148.97 168.11 23.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 38.4 p -96.91 158.38 15.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -56.15 158.37 4.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.1 p -105.47 119.32 54.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.122 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.5 t -90.67 151.3 21.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.827 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -117.54 159.35 23.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? 48.48 50.81 16.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.498 ' O ' HG23 ' A' ' 70' ' ' THR . 9.4 t -165.98 117.89 1.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.127 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.652 HD21 ' HB2' ' A' ' 38' ' ' ALA . 69.4 mt -74.51 -38.03 62.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -106.43 87.19 2.51 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.598 0.713 . . . . 0.0 110.903 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 156.31 63.75 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.687 2.258 . . . . 0.0 112.308 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 89.0 t -136.49 125.78 37.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.138 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -120.5 -53.48 2.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 59.7 39.96 20.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -113.87 156.3 24.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.965 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.461 ' HB2' HG22 ' A' ' 29' ' ' VAL . 40.1 t -126.75 137.93 53.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.522 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 7.1 m-85 -115.16 167.24 11.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.842 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -145.16 149.13 34.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.844 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -143.11 129.88 20.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 54.9 p -73.04 91.61 1.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.5 p -143.49 132.93 20.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.121 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.486 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 1.0 OUTLIER -76.4 148.3 37.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 -179.843 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.84 HD13 ' C ' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -52.15 -44.68 93.23 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.602 0.715 . . . . 0.0 110.91 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.733 ' N ' HD13 ' A' ' 85' ' ' LEU . 65.5 Cg_exo -47.98 -42.07 32.25 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.723 2.282 . . . . 0.0 112.303 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 89' ' ' GLN . 0.7 OUTLIER -82.41 -62.26 1.67 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.404 HG12 ' O ' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -38.48 -26.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.814 ' NE2' HD11 ' A' ' 85' ' ' LEU . 60.6 mt-30 -58.21 -56.26 24.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.2 ptt180 -76.75 -4.2 42.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.43 HH11 HD21 ' A' ' 52' ' ' LEU . 32.0 mtt180 -91.77 169.38 10.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 76.7 m -142.01 142.49 32.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.119 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.4 tp -86.09 101.88 13.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -70.9 100.82 2.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.4 HG11 HD11 ' A' ' 15' ' ' LEU . 29.7 t -111.75 100.0 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -120.74 116.53 25.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.648 HG22 HG22 ' A' ' 48' ' ' VAL . 45.4 t -103.23 106.68 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.446 ' HA ' HD12 ' A' ' 111' ' ' LEU . 0.0 OUTLIER -144.08 -179.5 6.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.975 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.455 ' CD2' ' HB2' ' A' ' 136' ' ' ASP . 18.6 tp . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.849 0.357 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 98' ' ' LYS . 22.1 mt -85.7 -33.46 21.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.422 ' C ' HD22 ' A' ' 133' ' ' LEU . . . 176.08 136.57 2.38 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.516 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.21 152.53 49.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.816 0.341 . . . . 0.0 110.944 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' ' 114' ' ' VAL . 11.8 p -152.29 125.37 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.106 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.415 ' N ' ' CD2' ' A' ' 115' ' ' LEU . 1.3 mm? -94.35 152.23 18.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.513 HG11 HD12 ' A' ' 17' ' ' ILE . 86.1 t -131.83 117.43 34.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -74.5 110.28 8.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.103 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 8.5 mt -86.34 28.76 0.81 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.922 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -93.48 27.78 2.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.077 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.5 t -97.62 -176.73 3.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -118.34 -11.56 10.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.558 ' HG3' ' CZ3' ' A' ' 127' ' ' TRP . 10.5 pt-20 -85.87 26.56 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 124' ' ' ALA . 15.5 mt -84.47 -53.23 5.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 123' ' ' LEU . . . -36.55 -41.69 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.085 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.1 -48.27 10.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 101.5 153.23 25.76 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.53 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' TRP . . . . . 0.558 ' CZ3' ' HG3' ' A' ' 122' ' ' GLU . 19.1 p90 -145.47 165.42 28.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.861 0.363 . . . . 0.0 110.933 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 62.0 m -135.33 128.53 31.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -160.51 155.32 24.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' TRP . . . . . 0.524 ' CZ2' ' HB2' ' A' ' 14' ' ' GLN . 72.6 m95 -87.16 110.24 20.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -82.62 105.65 13.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -62.93 118.22 7.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.422 HD22 ' C ' ' A' ' 112' ' ' GLY . 62.4 mt -61.6 143.05 56.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 74.9 p -132.36 144.04 50.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.134 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.06 166.55 13.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' ASP . . . . . 0.455 ' HB2' ' CD2' ' A' ' 110' ' ' LEU . 33.1 t0 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.421 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . 1.2 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 121.701 0.762 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 8' ' ' SER . 53.4 Cg_endo -69.75 -22.22 32.41 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.694 2.262 . . . . 0.0 112.277 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.485 HD22 ' O ' ' A' ' 111' ' ' LEU . 57.2 mt -85.86 -48.63 8.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.96 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 153.35 -166.92 31.8 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.553 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -147.62 174.31 11.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.767 0.318 . . . . 0.0 110.941 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.4 tt -163.95 132.77 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.49 ' HB2' ' CE2' ' A' ' 130' ' ' TRP . 31.5 tt0 -99.55 115.37 29.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.583 ' CD1' HG11 ' A' ' 95' ' ' VAL . 3.1 mt -133.88 135.57 43.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 88.6 m -98.31 110.77 23.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.633 HD12 HG11 ' A' ' 116' ' ' VAL . 21.2 mt -101.53 123.06 54.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.32 137.86 15.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.845 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.423 ' CE1' ' HA ' ' A' ' 24' ' ' ASN . 5.3 t-80 -125.77 114.19 18.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 24' ' ' ASN . 9.1 t -77.9 126.25 30.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 93.6 p -67.35 -39.7 85.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.843 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 -68.96 -47.43 65.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.449 ' O ' ' CG ' ' A' ' 24' ' ' ASN . 5.4 mmt180 -83.39 -16.25 46.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.48 ' N ' ' O ' ' A' ' 20' ' ' SER . 3.1 p-10 46.25 52.91 10.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.937 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.2 mttt -135.48 148.55 49.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.631 HD21 HD13 ' A' ' 93' ' ' LEU . 13.8 tp -102.67 111.05 23.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.925 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.9 mp -99.45 136.11 31.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 45.9 t -140.16 112.05 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.149 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.9 t -95.69 150.79 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.129 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.516 HG13 ' CD2' ' A' ' 15' ' ' LEU . 3.3 t -132.63 83.86 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -51.13 -74.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.442 ' HB2' HG13 ' A' ' 74' ' ' VAL . . . -173.33 158.39 3.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.103 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 58.6 m -105.74 166.15 10.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 33.9 ptt180 -152.95 164.61 37.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 51.66 54.13 11.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 82.8 mt -107.56 98.83 8.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.501 ' O ' HD12 ' A' ' 37' ' ' ILE . 2.5 pp -55.83 143.65 8.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -108.22 139.0 43.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -53.25 -25.85 15.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 41' ' ' GLU . 43.6 t -148.18 119.84 8.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 42' ' ' ASP . 48.8 tp10 -35.36 -46.24 0.36 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.901 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 41' ' ' GLU . 65.2 m-20 -34.46 -47.23 0.3 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 145.68 155.79 6.62 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.483 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.3 m -140.25 172.02 13.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.882 0.372 . . . . 0.0 110.858 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.407 ' HB3' HG12 ' A' ' 66' ' ' VAL . 0.8 OUTLIER -116.97 83.26 14.45 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.611 0.719 . . . . 0.0 110.864 179.895 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 141.48 45.14 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.667 2.245 . . . . 0.0 112.331 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.501 ' CB ' HG22 ' A' ' 66' ' ' VAL . 4.5 p90 -152.11 140.26 20.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.663 HG22 HG22 ' A' ' 97' ' ' VAL . 72.2 t -90.1 150.56 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.151 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -132.36 148.05 52.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 58.2 mtm -137.37 120.93 17.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -136.66 111.98 9.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 49.0 tp -67.44 93.9 0.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.538 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 48.3 mt -70.22 154.31 94.63 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.605 0.716 . . . . 0.0 110.94 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.9 Cg_endo -69.74 -45.23 0.43 Allowed 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.752 -1.77 . . . . 0.0 112.335 -0.088 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 51.6 t0 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.922 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.5 tpp180 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.882 0.373 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -141.28 170.93 14.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 45.1 p -98.28 168.03 10.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -54.13 163.06 0.86 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.501 HG22 ' CB ' ' A' ' 47' ' ' TYR . 91.7 t -105.66 102.74 14.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.2 m -71.49 141.6 50.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 52.9 mttt -121.52 159.87 25.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp 51.01 52.11 15.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.6 t -173.32 141.47 0.92 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.16 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 26.3 mt -97.79 -13.17 21.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -124.76 83.04 59.51 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.631 0.729 . . . . 0.0 110.868 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 147.67 63.11 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.627 2.218 . . . . 0.0 112.35 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.442 HG13 ' HB2' ' A' ' 32' ' ' ALA . 45.9 t -132.47 114.6 23.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -107.87 -46.64 3.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.6 t70 55.65 29.94 14.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -103.71 151.75 22.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 38.6 t -124.07 138.96 54.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.439 ' CD1' ' N ' ' A' ' 79' ' ' PHE . 3.6 m-85 -117.2 171.53 7.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -149.9 149.05 29.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -140.54 124.69 17.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 70.9 p -71.82 92.33 1.22 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.856 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.4 p -143.38 134.53 22.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.17 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.483 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 1.0 OUTLIER -74.13 148.68 41.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 -179.838 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.616 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 3.0 tp -53.77 -44.11 97.43 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.616 0.722 . . . . 0.0 110.912 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 65.4 Cg_exo -48.07 -35.19 25.23 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.66 2.24 . . . . 0.0 112.366 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -88.92 -58.04 2.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.597 HG22 HD12 ' A' ' 118' ' ' LEU . 1.3 p -45.99 -30.43 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.423 ' OE1' ' HA ' ' A' ' 86' ' ' PRO . 73.0 mt-30 -59.32 -60.68 3.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 -69.72 -3.35 14.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 88.6 mtt-85 -97.11 -179.23 4.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 77.7 m -150.34 136.61 18.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.13 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.631 HD13 HD21 ' A' ' 26' ' ' LEU . 4.4 tp -84.47 104.96 14.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.857 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.403 ' HB2' ' CD1' ' A' ' 53' ' ' LEU . 12.3 t0 -75.34 97.02 3.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.583 HG11 ' CD1' ' A' ' 15' ' ' LEU . 17.3 t -106.67 102.73 14.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.137 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -128.71 133.24 48.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.096 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.663 HG22 HG22 ' A' ' 48' ' ' VAL . 78.9 t -104.75 101.55 12.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.116 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -106.45 -177.37 3.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.539 ' CB ' HD11 ' A' ' 111' ' ' LEU . 2.1 t30 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.1 tp . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.855 0.359 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.539 HD11 ' CB ' ' A' ' 99' ' ' ASN . 14.8 mt -108.16 -45.53 3.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.678 ' C ' HD22 ' A' ' 133' ' ' LEU . . . -166.38 144.57 9.24 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.504 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.65 ' N ' HD22 ' A' ' 133' ' ' LEU . 4.9 ptmm? -150.6 154.67 37.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.785 0.326 . . . . 0.0 110.931 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.49 HG11 ' HB3' ' A' ' 131' ' ' TYR . 11.3 p -157.06 124.61 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.122 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.656 HD22 ' N ' ' A' ' 115' ' ' LEU . 1.5 mm? -91.63 156.94 17.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.633 HG11 HD12 ' A' ' 17' ' ' ILE . 81.3 t -139.14 123.78 20.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -78.0 110.96 13.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.597 HD12 HG22 ' A' ' 88' ' ' VAL . 4.9 mt -84.23 20.09 1.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -87.44 23.44 1.9 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.088 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.2 m -97.51 147.76 23.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -85.96 -14.24 45.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -70.17 -5.77 29.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 11.5 mt -55.76 -36.73 67.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.945 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -47.68 -38.25 14.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.101 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -94.35 -59.86 1.86 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 113.32 148.14 10.08 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 26.8 p90 -136.85 157.29 47.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.814 0.34 . . . . 0.0 110.937 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 85.6 m -132.65 126.97 33.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.123 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.423 ' HG2' ' CE1' ' A' ' 131' ' ' TYR . 16.8 pt20 -158.92 158.92 34.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' TRP . . . . . 0.49 ' CE2' ' HB2' ' A' ' 14' ' ' GLN . 72.1 m95 -86.85 99.57 11.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' TYR . . . . . 0.521 ' HD2' HD12 ' A' ' 15' ' ' LEU . 21.1 m-85 -67.45 102.11 1.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.46 ' N ' ' OD1' ' A' ' 132' ' ' ASP . 0.2 OUTLIER -63.18 114.01 3.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 179.905 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.678 HD22 ' C ' ' A' ' 112' ' ' GLY . 77.2 mt -61.89 143.08 56.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 77.1 p -127.05 173.28 9.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -79.02 161.78 26.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 10.4 p30 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.934 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.8 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 121.661 0.743 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -26.88 26.98 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.652 2.235 . . . . 0.0 112.353 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.702 HD11 ' HG3' ' A' ' 135' ' ' GLU . 89.6 mt -80.09 -51.88 8.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 152.3 -173.92 31.33 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.485 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -141.92 178.58 7.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.811 0.339 . . . . 0.0 110.895 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.6 tt -166.77 134.25 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.568 ' HB2' ' CZ2' ' A' ' 130' ' ' TRP . 22.2 tt0 -99.47 114.69 27.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.775 HD11 HG11 ' A' ' 95' ' ' VAL . 40.5 mt -131.16 127.84 38.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.0 m -97.12 102.86 14.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.488 ' CD1' HG11 ' A' ' 116' ' ' VAL . 80.5 mt -96.55 125.11 49.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.13 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -155.66 116.05 3.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 -97.62 106.29 18.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 24' ' ' ASN . 2.3 m -69.06 125.58 27.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 71.7 p -66.85 -55.05 16.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -55.47 -43.81 75.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.459 ' O ' ' CG ' ' A' ' 24' ' ' ASN . 32.8 mmt180 -84.96 -17.72 36.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 20' ' ' SER . 5.3 p-10 46.67 43.89 13.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.8 mttt -126.33 156.73 39.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.664 HD13 HG21 ' A' ' 88' ' ' VAL . 19.6 tp -101.34 102.67 13.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.921 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.422 HD12 ' N ' ' A' ' 27' ' ' ILE . 4.8 mp -92.53 130.09 42.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.42 HG11 ' SD ' ' A' ' 50' ' ' MET . 40.6 t -136.73 106.15 4.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.9 t -94.04 138.16 21.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 19.2 t -117.26 96.61 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.519 ' O ' HG23 ' A' ' 74' ' ' VAL . 93.4 m-70 -63.08 -74.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.565 ' HB1' ' O ' ' A' ' 73' ' ' PRO . . . -172.03 162.16 5.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.083 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 32.7 m -106.4 167.96 9.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 23.6 ptt180 -155.59 148.0 23.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 60.73 53.39 3.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.464 ' O ' ' C ' ' A' ' 37' ' ' ILE . 55.5 mt -99.41 88.02 3.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.63 HD11 HD22 ' A' ' 111' ' ' LEU . 2.7 pp -32.67 141.86 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 39' ' ' PHE . . . -114.78 113.64 24.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.08 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' A' ' 38' ' ' ALA . 3.4 t80 -38.27 -36.02 0.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 41.1 t -139.21 122.16 16.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -42.4 -28.73 0.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -52.86 -43.12 65.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 146.34 131.09 2.2 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.534 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.1 m -110.14 175.12 5.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.902 0.382 . . . . 0.0 110.849 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -114.4 78.33 4.69 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.572 0.701 . . . . 0.0 110.885 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.422 ' O ' HG23 ' A' ' 66' ' ' VAL . 53.9 Cg_endo -69.73 134.16 27.37 Favored 'Trans proline' 0 C--O 1.23 0.123 0 C-N-CA 122.679 2.253 . . . . 0.0 112.367 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.419 ' CB ' ' HB ' ' A' ' 66' ' ' VAL . 2.2 p90 -160.89 136.36 7.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.56 HG22 HG22 ' A' ' 97' ' ' VAL . 29.9 t -87.96 159.56 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.161 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.507 ' N ' HG12 ' A' ' 48' ' ' VAL . 11.4 ttm180 -145.16 130.11 18.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.42 ' SD ' HG11 ' A' ' 28' ' ' VAL . 64.2 mtm -113.89 142.48 46.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -151.18 127.61 10.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 52' ' ' LEU . 13.2 tp -84.02 89.11 7.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.528 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 4.1 mm? -66.92 156.05 88.42 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.602 0.715 . . . . 0.0 110.947 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.5 Cg_endo -69.8 -47.56 0.31 Allowed 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.674 -1.802 . . . . 0.0 112.322 -0.099 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 54' ' ' PRO . 6.7 m-20 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.83 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.875 0.369 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.1 pttp -126.94 171.26 11.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 67.1 p -97.33 163.98 12.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.413 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 80.9 m-70 -62.08 158.35 16.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 46' ' ' PRO . 2.3 p -111.28 116.4 52.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.075 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.1 m -98.43 115.46 28.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -85.77 157.33 20.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 42.7 mmtt 61.24 54.89 3.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.0 t -175.07 144.15 0.73 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.2 mp -104.55 -23.07 13.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.931 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -118.13 67.65 6.6 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.647 0.737 . . . . 0.0 110.936 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.565 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 54.1 Cg_endo -69.76 164.99 32.47 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.663 2.242 . . . . 0.0 112.34 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.538 HG23 ' HB2' ' A' ' 32' ' ' ALA . 4.8 p -149.25 136.12 12.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.413 ' CE1' ' O ' ' A' ' 65' ' ' HIS . 1.9 m-85 -123.58 -34.37 3.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.4 t70 50.39 38.17 17.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -105.6 148.91 26.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 27.5 t -124.53 133.69 53.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.443 ' CD1' ' N ' ' A' ' 79' ' ' PHE . 3.6 m-85 -115.85 169.34 9.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -153.57 148.01 26.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -139.31 131.68 28.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 51.5 p -73.44 92.37 1.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 6.7 p -143.44 135.02 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.123 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.479 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 0.9 OUTLIER -75.36 149.66 38.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 -179.804 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.605 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 4.6 tp -52.81 -44.72 96.74 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.631 0.729 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 64.1 Cg_exo -47.96 -41.0 33.31 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.705 2.27 . . . . 0.0 112.323 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -82.37 -57.82 3.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.664 HG21 HD13 ' A' ' 26' ' ' LEU . 0.9 OUTLIER -48.86 -30.15 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.117 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.408 ' OE1' ' HA ' ' A' ' 86' ' ' PRO . 59.6 mt-30 -55.98 -55.62 30.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 18.0 ptt180 -72.59 -22.81 60.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 49.0 mtt180 -74.9 173.31 10.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.404 HG23 ' O ' ' A' ' 116' ' ' VAL . 25.2 m -143.14 142.08 31.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.616 HD13 HD21 ' A' ' 26' ' ' LEU . 3.0 tp -87.65 101.31 13.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.923 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.48 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -75.62 97.6 3.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.824 179.879 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.775 HG11 HD11 ' A' ' 15' ' ' LEU . 16.4 t -107.65 100.95 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -121.96 131.79 54.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.079 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.56 HG22 HG22 ' A' ' 48' ' ' VAL . 86.3 t -113.96 101.52 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 8.0 pttp -130.67 -177.81 4.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 179.966 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 11.1 tp . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.823 0.344 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.63 HD22 HD11 ' A' ' 37' ' ' ILE . 24.7 mt -83.57 -56.06 3.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -160.5 154.28 25.28 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.473 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -155.95 159.38 39.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.834 0.35 . . . . 0.0 110.839 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.557 HG11 ' HB3' ' A' ' 131' ' ' TYR . 11.1 p -150.66 137.85 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -101.2 148.19 25.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.488 HG11 ' CD1' ' A' ' 17' ' ' ILE . 53.3 t -133.09 123.28 47.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -80.91 111.36 17.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 25.1 mt -84.73 20.05 1.88 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -89.64 22.96 2.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.084 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 30.5 t -101.48 147.79 25.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -80.6 -31.75 36.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.865 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -46.07 -22.61 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 18.0 mt -45.08 -45.6 11.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -40.66 -34.95 0.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -103.03 -46.82 4.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 102.43 157.77 25.88 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.48 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 29.0 p90 -146.02 154.66 42.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.846 0.355 . . . . 0.0 110.932 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 87.6 m -125.22 128.51 48.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.127 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -161.95 155.9 21.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' TRP . . . . . 0.568 ' CZ2' ' HB2' ' A' ' 14' ' ' GLN . 86.8 m95 -88.88 107.09 18.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.952 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' TYR . . . . . 0.557 ' HB3' HG11 ' A' ' 114' ' ' VAL . 28.5 m-85 -76.96 105.11 7.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.909 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.421 ' O ' ' CG ' ' A' ' 132' ' ' ASP . 0.8 OUTLIER -62.99 116.26 5.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.872 179.888 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.409 ' CD1' ' HB ' ' A' ' 97' ' ' VAL . 87.9 mt -65.39 124.55 22.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.688 ' HA ' HD12 ' A' ' 10' ' ' LEU . 73.3 p -115.74 165.0 13.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.702 ' HG3' HD11 ' A' ' 10' ' ' LEU . 43.9 mt-10 -70.59 155.57 40.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 3.9 t70 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.972 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 79.1 p . . . . . 0 C--O 1.232 0.141 0 CA-C-O 121.664 0.745 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -25.41 28.47 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.698 2.265 . . . . 0.0 112.34 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.482 HD22 ' O ' ' A' ' 111' ' ' LEU . 89.9 mt -92.71 -42.88 9.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 155.11 -179.54 31.05 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.473 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -140.48 158.62 43.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.759 0.314 . . . . 0.0 110.93 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.0 tt -150.59 138.62 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.077 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.483 ' HB2' ' CE2' ' A' ' 130' ' ' TRP . 38.3 tt0 -107.96 112.05 24.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.914 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.664 HD11 HG11 ' A' ' 95' ' ' VAL . 21.9 mt -127.79 136.1 51.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.977 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 90.6 m -102.4 109.48 21.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.17 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.51 ' CD1' HG11 ' A' ' 116' ' ' VAL . 4.9 mt -98.75 126.51 51.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -155.13 112.63 3.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.516 ' CE1' ' HB2' ' A' ' 85' ' ' LEU . 27.1 t-80 -103.39 102.42 12.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.0 t -70.05 143.36 52.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.829 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 76.6 p -85.84 -45.58 11.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.846 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.422 ' CD ' ' H ' ' A' ' 22' ' ' GLN . 2.0 pm0 -60.06 -21.26 61.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -112.01 -26.16 9.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.2 m120 59.0 42.9 18.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.5 mttt -123.57 164.36 19.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.497 HD21 HD13 ' A' ' 93' ' ' LEU . 16.8 tp -115.84 102.11 9.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.949 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.445 HD12 ' N ' ' A' ' 27' ' ' ILE . 4.3 mp -91.23 131.94 37.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.4 t -136.51 106.12 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.2 t -90.29 140.24 16.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.434 HG22 ' CD2' ' A' ' 15' ' ' LEU . 35.8 t -119.57 92.8 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.17 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -58.27 -74.94 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -175.03 157.92 2.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.063 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 57.6 m -107.47 169.14 8.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 23.5 ptt180 -162.39 174.67 12.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 48.64 50.32 17.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 74.0 mt -100.47 86.94 3.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.49 ' O ' HD12 ' A' ' 37' ' ' ILE . 1.8 pp -40.55 135.12 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.783 ' HB3' ' HA ' ' A' ' 41' ' ' GLU . . . -92.02 142.88 27.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.106 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -51.81 -41.73 61.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.8 t -128.91 21.66 5.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.783 ' HA ' ' HB3' ' A' ' 38' ' ' ALA . 23.4 mt-10 46.47 29.87 0.97 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -113.54 -37.43 4.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 153.51 108.27 0.34 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.491 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.8 m -111.4 172.67 6.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.868 0.366 . . . . 0.0 110.851 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.19 76.89 0.65 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.605 0.717 . . . . 0.0 110.86 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 136.85 34.13 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.669 2.246 . . . . 0.0 112.361 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.487 ' HB3' HG23 ' A' ' 66' ' ' VAL . 3.8 p90 -156.81 145.98 20.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.639 HG22 HG22 ' A' ' 97' ' ' VAL . 94.6 t -92.27 149.83 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.09 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.58 133.07 34.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.834 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 75.9 mtm -121.02 144.62 48.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -155.16 122.47 5.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.464 ' HG ' ' CZ ' ' A' ' 91' ' ' ARG . 8.4 tp -75.67 85.74 2.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.875 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.542 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 51.4 mt -64.92 150.99 94.19 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.63 0.729 . . . . 0.0 110.907 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 54.1 Cg_endo -69.74 -36.77 2.21 Favored 'Cis proline' 0 C--O 1.231 0.151 0 C-N-CA 122.727 -1.781 . . . . 0.0 112.393 -0.132 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 54' ' ' PRO . 10.6 t70 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.494 ' HG3' ' CE2' ' A' ' 81' ' ' PHE . 18.3 mmm180 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.875 0.369 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.4 pttt -141.39 169.32 17.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 22.2 p -99.18 154.88 17.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.149 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 21.4 p-80 -54.24 152.89 5.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.828 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.487 HG23 ' HB3' ' A' ' 47' ' ' TYR . 4.0 p -102.62 122.35 54.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.095 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.0 m -90.06 152.79 20.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 17.2 mtpt -117.34 144.96 44.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.1 mptt 61.91 50.29 4.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.4 t -162.79 137.31 6.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.174 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.6 mp -93.96 -29.55 15.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.953 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -112.98 79.16 3.3 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.609 0.718 . . . . 0.0 110.907 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.402 ' HB2' ' CZ ' ' A' ' 75' ' ' PHE . 53.5 Cg_endo -69.78 144.38 53.77 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.658 2.238 . . . . 0.0 112.376 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 91.8 t -117.46 139.73 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.147 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.402 ' CZ ' ' HB2' ' A' ' 73' ' ' PRO . 3.0 m-85 -133.02 -52.2 0.9 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.6 t70 54.68 32.33 17.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -103.03 151.2 22.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 31.3 t -121.74 134.01 54.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.438 ' CD2' ' HB3' ' A' ' 62' ' ' ARG . 32.7 m-85 -115.1 169.79 8.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -153.19 148.45 26.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.854 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.494 ' CE2' ' HG3' ' A' ' 62' ' ' ARG . 12.3 m-85 -139.19 125.04 19.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 36.1 p -72.93 89.66 1.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.855 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.8 p -143.64 135.3 23.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.14 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.449 ' C ' ' HD2' ' A' ' 86' ' ' PRO . 0.9 OUTLIER -73.77 144.03 45.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.834 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.597 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 4.0 tp -51.95 -44.69 92.22 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.595 0.712 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 66.3 Cg_exo -48.01 -33.64 21.06 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.706 2.271 . . . . 0.0 112.314 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -88.55 -59.02 2.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.635 HG22 HD12 ' A' ' 118' ' ' LEU . 1.8 p -48.78 -33.83 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.656 ' O ' ' HB2' ' A' ' 119' ' ' ALA . 34.2 mt-30 -53.03 -43.8 66.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.941 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 10.9 ptt180 -90.17 13.52 14.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.464 ' CZ ' ' HG ' ' A' ' 52' ' ' LEU . 45.2 mtp180 -115.27 179.43 3.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.476 HG23 ' O ' ' A' ' 116' ' ' VAL . 21.2 m -144.49 145.73 32.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.153 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.497 HD13 HD21 ' A' ' 26' ' ' LEU . 3.7 tp -93.2 105.05 17.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.41 ' OD2' HD11 ' A' ' 53' ' ' LEU . 5.6 t70 -70.74 100.04 1.81 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.879 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.664 HG11 HD11 ' A' ' 15' ' ' LEU . 18.6 t -115.71 102.8 14.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.107 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.586 ' HB1' ' CE ' ' A' ' 98' ' ' LYS . . . -125.64 129.83 50.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.121 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.639 HG22 HG22 ' A' ' 48' ' ' VAL . 96.1 t -108.48 103.08 14.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.158 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.586 ' CE ' ' HB1' ' A' ' 96' ' ' ALA . 3.0 ptpt -135.52 177.98 7.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.929 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 7.2 tp . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.87 0.367 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.482 ' O ' HD22 ' A' ' 10' ' ' LEU . 46.9 mt -87.63 -38.07 16.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.916 ' O ' HD22 ' A' ' 133' ' ' LEU . . . 177.83 123.65 0.81 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.435 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -127.85 163.3 24.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.836 0.351 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 12.6 p -157.26 131.34 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.156 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.474 ' HA ' HD13 ' A' ' 115' ' ' LEU . 2.6 mm? -100.61 138.13 38.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.95 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.51 HG11 ' CD1' ' A' ' 17' ' ' ILE . 85.7 t -120.26 129.58 75.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.175 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -85.59 114.07 22.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.635 HD12 HG22 ' A' ' 88' ' ' VAL . 6.8 mt -89.93 24.5 2.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.656 ' HB2' ' O ' ' A' ' 89' ' ' GLN . . . -90.85 15.79 10.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.07 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.1 m -97.46 158.79 15.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 123' ' ' LEU . 0.6 OUTLIER -85.47 -33.65 21.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.915 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -38.67 -28.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 121' ' ' GLU . 25.6 mt -45.12 -48.53 12.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.927 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 123' ' ' LEU . . . -35.83 -34.98 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 123' ' ' LEU . 45.3 mttp -105.93 -39.05 6.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 93.46 153.35 30.18 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.483 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 30.7 p90 -147.09 166.53 26.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.856 0.36 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 41.4 m -140.78 133.58 28.96 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.165 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.493 ' CG ' ' CE1' ' A' ' 131' ' ' TYR . 12.1 pt20 -161.53 159.36 27.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' TRP . . . . . 0.483 ' CE2' ' HB2' ' A' ' 14' ' ' GLN . 75.1 m95 -85.91 101.27 12.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' TYR . . . . . 0.493 ' CE1' ' CG ' ' A' ' 129' ' ' GLN . 30.1 m-85 -76.28 104.04 6.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -65.65 117.77 8.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.824 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.916 HD22 ' O ' ' A' ' 112' ' ' GLY . 11.9 mt -63.53 144.08 57.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 71.9 p -130.8 173.6 10.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.154 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -75.42 156.93 34.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 3.5 t70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 179.939 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.417 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . 77.3 p . . . . . 0 C--O 1.231 0.09 0 CA-C-O 121.671 0.748 . . . . 0.0 110.835 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 8' ' ' SER . 53.4 Cg_endo -69.82 -19.79 35.41 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.64 2.227 . . . . 0.0 112.355 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.751 HD22 ' O ' ' A' ' 111' ' ' LEU . 62.1 mt -91.47 -43.12 9.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 143.09 -168.46 26.06 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -147.25 164.63 32.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.821 0.343 . . . . 0.0 110.881 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.507 HD11 HD21 ' A' ' 15' ' ' LEU . 13.0 tt -152.65 135.17 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.525 ' HB2' ' CE2' ' A' ' 130' ' ' TRP . 10.0 tt0 -100.64 122.26 43.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.801 HD22 HG22 ' A' ' 30' ' ' VAL . 54.8 mt -135.17 123.75 23.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.4 m -89.05 98.0 11.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.136 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.45 ' CD1' HG11 ' A' ' 116' ' ' VAL . 11.9 mt -96.57 110.91 25.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.145 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.0 ttt180 -142.57 110.73 6.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.523 ' CE1' ' HA ' ' A' ' 24' ' ' ASN . 6.0 t-80 -98.01 119.37 36.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.478 ' O ' ' CE1' ' A' ' 19' ' ' HIS . 4.7 t -75.09 145.32 42.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 37.1 p -79.36 -55.18 5.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -60.61 -41.41 94.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.0 mtt-85 -84.13 -19.32 34.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.523 ' HA ' ' CE1' ' A' ' 19' ' ' HIS . 10.2 m120 45.11 48.8 9.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.7 mttt -128.83 147.68 50.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.714 HD13 HG21 ' A' ' 88' ' ' VAL . 12.9 tp -103.98 109.9 21.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.445 HD12 ' N ' ' A' ' 27' ' ' ILE . 4.9 mp -103.06 139.59 23.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.1 t -135.95 113.08 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.173 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.4 t -100.66 130.23 50.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.801 HG22 HD22 ' A' ' 15' ' ' LEU . 26.4 t -110.86 96.68 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -61.58 -72.76 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.513 ' HB1' ' O ' ' A' ' 73' ' ' PRO . . . -171.01 154.39 4.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.145 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.46 ' SG ' HD12 ' A' ' 13' ' ' ILE . 46.9 m -107.71 152.03 24.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.7 ptt180 -141.5 164.18 30.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 61.9 47.89 5.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.51 HD12 ' O ' ' A' ' 71' ' ' LEU . 97.6 mt -106.33 99.28 8.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.604 ' O ' HD12 ' A' ' 37' ' ' ILE . 2.5 pp -61.37 135.1 26.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.137 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -94.8 129.52 41.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -45.95 -25.15 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.6 t -152.29 127.31 9.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -39.53 -41.68 1.04 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -38.29 -46.41 1.09 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 134.72 140.67 4.29 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.476 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.4 m -124.59 175.24 7.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.885 0.374 . . . . 0.0 110.84 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -115.76 86.46 15.98 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.63 0.729 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 139.96 41.39 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.675 2.25 . . . . 0.0 112.324 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.502 ' CB ' HG22 ' A' ' 66' ' ' VAL . 4.2 p90 -149.31 134.47 18.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 59.7 t -84.53 144.18 10.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.142 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.6 ttt180 -125.22 145.16 50.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 63.4 mtm -135.12 122.43 21.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -135.05 122.5 21.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.8 tp -76.19 93.04 3.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.538 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 80.4 mt -71.21 154.49 93.82 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.6 0.714 . . . . 0.0 110.92 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 54.0 Cg_endo -69.72 -42.51 0.74 Allowed 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.351 -0.191 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 54' ' ' PRO . 19.5 m-20 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.907 0.384 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -146.57 171.05 15.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.919 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 43.2 p -96.31 172.2 8.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.166 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -57.73 158.46 6.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.502 HG22 ' CB ' ' A' ' 47' ' ' TYR . 75.2 t -103.98 105.23 18.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.0 m -82.41 149.29 27.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 57.5 mttt -123.77 163.21 21.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.8 mptt 48.03 41.63 15.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.865 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.7 t -160.94 140.22 10.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.11 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.51 ' O ' HD12 ' A' ' 36' ' ' LEU . 45.6 mt -97.88 -33.33 11.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -108.13 80.18 1.04 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.599 0.714 . . . . 0.0 110.926 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.513 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 53.6 Cg_endo -69.78 162.67 41.17 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.7 2.267 . . . . 0.0 112.35 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.46 ' O ' HG13 ' A' ' 74' ' ' VAL . 3.6 p -150.74 109.09 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.083 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -106.74 -26.57 11.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.3 t0 43.92 31.85 0.55 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -86.93 159.64 18.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 26.9 t -130.98 118.46 20.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.789 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.411 ' O ' HG23 ' A' ' 27' ' ' ILE . 12.9 m-85 -101.51 167.25 10.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -146.83 155.69 42.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -149.95 123.5 9.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 36.9 p -69.47 88.6 0.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.42 ' O ' ' NE2' ' A' ' 19' ' ' HIS . 3.3 p -143.87 133.77 20.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.094 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.478 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 0.8 OUTLIER -73.83 147.1 43.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.909 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.613 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 8.1 tp -53.86 -43.76 97.0 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.572 0.701 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 65.9 Cg_exo -47.95 -32.39 17.77 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.745 2.297 . . . . 0.0 112.328 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -90.99 -61.01 1.76 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.714 HG21 HD13 ' A' ' 26' ' ' LEU . 0.9 OUTLIER -43.03 -34.2 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.115 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.816 ' O ' ' HB2' ' A' ' 119' ' ' ALA . 17.7 mt-30 -50.66 -56.12 13.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.2 mtt-85 -69.94 -33.53 72.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 87.8 mtt-85 -66.87 170.3 6.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 28.6 m -137.32 144.21 42.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.111 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.827 ' HB2' HD21 ' A' ' 118' ' ' LEU . 6.0 tp -88.18 110.03 20.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.939 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -83.08 98.99 9.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.705 HG11 HD11 ' A' ' 15' ' ' LEU . 9.8 t -112.48 111.22 35.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -133.39 123.27 25.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.063 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 43.8 t -101.59 105.08 17.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.102 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.1 pttt -128.98 176.7 7.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 34.1 p-10 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.982 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.45 HD21 ' HG2' ' A' ' 113' ' ' LYS . 11.7 tp . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.825 0.345 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.751 ' O ' HD22 ' A' ' 10' ' ' LEU . 60.8 mt -61.57 -50.1 73.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.667 ' O ' HD22 ' A' ' 133' ' ' LEU . . . -176.15 136.83 3.41 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.477 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.45 ' HG2' HD21 ' A' ' 110' ' ' LEU . 17.1 ptmt -128.95 150.1 50.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.771 0.32 . . . . 0.0 110.914 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.531 HG13 ' O ' ' A' ' 114' ' ' VAL . 13.6 p -141.83 119.16 7.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.158 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -84.11 149.25 26.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.592 HG21 ' CE2' ' A' ' 131' ' ' TYR . 50.4 t -131.96 107.42 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.59 101.23 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.827 HD21 ' HB2' ' A' ' 93' ' ' LEU . 53.7 mt -65.46 -7.91 16.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.816 ' HB2' ' O ' ' A' ' 89' ' ' GLN . . . -82.62 37.43 0.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.7 m -79.13 -4.38 50.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 48.36 25.5 0.91 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -133.75 3.27 3.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.639 HD11 ' O ' ' A' ' 118' ' ' LEU . 10.3 mt -57.41 -13.38 3.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -68.62 -23.55 64.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.064 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -102.63 -46.23 4.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 95.16 141.46 11.75 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.469 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 27.5 p90 -140.9 156.28 46.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.82 0.343 . . . . 0.0 110.937 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 90.6 m -131.27 112.47 12.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.158 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.509 ' CG ' ' CE1' ' A' ' 131' ' ' TYR . 8.1 pt20 -142.7 163.45 32.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' TRP . . . . . 0.525 ' CE2' ' HB2' ' A' ' 14' ' ' GLN . 41.0 m95 -93.47 98.86 11.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' TYR . . . . . 0.592 ' CE2' HG21 ' A' ' 116' ' ' VAL . 19.3 m-85 -68.7 105.28 2.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.923 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -67.34 122.96 19.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.901 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.667 HD22 ' O ' ' A' ' 112' ' ' GLY . 60.6 mt -64.95 149.85 49.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 62.0 p -142.41 168.96 18.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -67.47 156.17 37.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.951 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.444 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . 86.5 p . . . . . 0 C--O 1.23 0.074 0 CA-C-O 121.687 0.756 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.444 ' HD2' ' HA ' ' A' ' 8' ' ' SER . 54.3 Cg_endo -69.68 -30.37 22.77 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.688 2.259 . . . . 0.0 112.367 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.86 HD22 ' O ' ' A' ' 111' ' ' LEU . 96.1 mt -77.96 -47.16 19.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.945 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 140.78 179.62 18.38 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.449 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -130.65 -176.96 4.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.757 0.313 . . . . 0.0 110.956 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.721 HD11 HD21 ' A' ' 15' ' ' LEU . 9.1 tt -168.32 146.03 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.166 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.413 ' HB2' ' CE2' ' A' ' 130' ' ' TRP . 29.0 tt0 -112.55 120.22 40.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.721 HD21 HD11 ' A' ' 13' ' ' ILE . 29.7 mt -132.56 123.68 26.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 94.4 m -91.13 106.56 18.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.785 ' CD1' HG11 ' A' ' 116' ' ' VAL . 14.4 mt -98.8 122.04 50.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.157 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 64.4 ttt-85 -150.04 108.22 3.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -97.89 111.32 23.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.835 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.8 t -73.68 120.63 19.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.861 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 78.3 p -71.07 -16.4 62.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.826 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -87.9 -40.23 14.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -89.52 -20.88 23.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.9 m120 61.72 37.5 15.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -124.4 163.21 22.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.1 tp -116.19 106.69 13.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.416 HD12 ' N ' ' A' ' 27' ' ' ILE . 4.2 mp -93.81 138.56 20.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.1 t -142.38 111.68 2.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.097 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 38.7 t -94.32 119.49 42.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.1 t -95.31 73.7 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -40.51 -74.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -175.06 166.91 3.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.111 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.403 ' SG ' HD12 ' A' ' 13' ' ' ILE . 66.0 m -120.96 151.15 40.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.0 ptt180 -140.61 168.33 20.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 58.48 47.56 13.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 58.4 mt -104.37 100.86 10.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.794 ' O ' HD12 ' A' ' 37' ' ' ILE . 2.8 pp -59.41 128.66 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.603 ' HB2' ' CD2' ' A' ' 71' ' ' LEU . . . -88.41 124.69 34.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.089 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -47.08 -22.28 0.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.6 t -147.52 142.15 26.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.832 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 42' ' ' ASP . 12.7 pt-20 -56.48 -49.44 74.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.443 ' N ' ' HG3' ' A' ' 41' ' ' GLU . 0.5 OUTLIER -36.8 -44.8 0.5 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 146.41 153.09 5.79 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.536 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.2 m -133.66 159.77 39.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.89 0.376 . . . . 0.0 110.84 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.1 83.55 2.33 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.623 0.725 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 153.97 68.04 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.677 2.251 . . . . 0.0 112.311 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -167.17 138.41 3.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.614 HG22 HG22 ' A' ' 97' ' ' VAL . 67.0 t -91.5 151.9 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.115 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -135.45 140.82 45.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 61.0 mtm -123.87 127.4 47.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -136.22 122.94 21.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.8 tp -78.43 98.98 6.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.939 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.537 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 78.9 mt -75.01 154.58 86.68 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.62 0.724 . . . . 0.0 110.912 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.5 Cg_endo -69.75 -38.17 1.72 Allowed 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.643 -1.815 . . . . 0.0 112.348 -0.153 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.462 ' C ' ' O ' ' A' ' 54' ' ' PRO . 3.5 m-20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.442 ' HG3' ' CD2' ' A' ' 79' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.876 0.369 . . . . 0.0 110.898 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.6 ptmt -134.67 168.92 18.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 27.9 p -100.43 171.44 7.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.41 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 13.1 m-70 -56.67 152.2 12.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 33.6 t -97.06 115.89 37.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.109 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.492 ' HB3' HG21 ' A' ' 70' ' ' THR . 4.9 m -84.91 139.14 32.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -114.1 143.53 44.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? 58.89 52.98 6.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.492 HG21 ' HB3' ' A' ' 67' ' ' SER . 0.8 OUTLIER -165.73 149.54 8.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.603 ' CD2' ' HB2' ' A' ' 38' ' ' ALA . 90.7 mt -105.7 -22.76 12.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -117.6 82.9 16.48 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.58 0.705 . . . . 0.0 110.896 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.455 ' HB2' ' CZ ' ' A' ' 75' ' ' PHE . 53.7 Cg_endo -69.76 138.78 38.62 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.684 2.256 . . . . 0.0 112.331 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 54.6 t -126.64 115.36 41.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.091 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.455 ' CZ ' ' HB2' ' A' ' 73' ' ' PRO . 7.7 m-85 -110.29 -61.02 1.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.4 t0 72.65 28.87 2.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -88.35 156.59 19.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.4 t -125.08 118.11 25.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.442 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 5.4 m-85 -108.08 149.85 27.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.886 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.09 153.84 50.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.831 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -142.65 126.46 17.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 48.2 p -70.79 91.52 0.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.6 p -143.6 133.93 21.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.075 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.469 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 1.0 OUTLIER -75.12 146.8 41.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.853 -179.834 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.609 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 4.3 tp -52.99 -44.4 96.87 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.63 0.729 . . . . 0.0 110.895 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 65.9 Cg_exo -47.97 -32.24 17.58 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.71 2.273 . . . . 0.0 112.333 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -92.56 -54.26 3.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.468 HG12 ' HA ' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -47.45 -34.74 3.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.426 ' OE1' ' HA ' ' A' ' 86' ' ' PRO . 74.1 mt-30 -55.48 -57.68 10.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -69.51 -23.44 63.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 12.8 mtp85 -81.08 174.54 11.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.465 HG22 ' N ' ' A' ' 93' ' ' LEU . 53.5 m -141.39 156.67 45.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.465 ' N ' HG22 ' A' ' 92' ' ' THR . 11.2 tp -99.76 111.36 23.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -84.31 102.49 12.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.704 HG11 HD11 ' A' ' 15' ' ' LEU . 23.5 t -110.79 100.65 11.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.125 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.53 ' HB1' ' CE ' ' A' ' 98' ' ' LYS . . . -117.73 117.01 28.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.614 HG22 HG22 ' A' ' 48' ' ' VAL . 64.8 t -100.24 108.05 22.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.165 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.53 ' CE ' ' HB1' ' A' ' 96' ' ' ALA . 0.1 OUTLIER -132.4 176.49 8.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.584 ' HB3' HD11 ' A' ' 111' ' ' LEU . 4.5 p30 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.419 ' CD2' ' HB2' ' A' ' 136' ' ' ASP . 3.2 tp . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.881 0.372 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.86 ' O ' HD22 ' A' ' 10' ' ' LEU . 3.9 mt -102.7 -30.62 10.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.771 ' C ' HD22 ' A' ' 133' ' ' LEU . . . -174.17 125.45 1.11 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.474 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.646 ' N ' HD22 ' A' ' 133' ' ' LEU . 12.3 ptmt -136.84 160.03 40.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 7.6 p -161.8 138.73 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.125 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -97.28 148.59 22.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.92 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.785 HG11 ' CD1' ' A' ' 17' ' ' ILE . 71.0 t -128.31 116.65 42.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.154 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -77.59 112.78 14.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.066 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.425 ' CD1' HG22 ' A' ' 88' ' ' VAL . 6.4 mt -90.08 25.92 2.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.876 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -93.38 26.94 2.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.075 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.7 m -91.19 -175.96 4.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.819 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -121.61 -6.54 9.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -89.08 17.84 5.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 27.7 mt -75.59 -29.49 59.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.949 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -54.06 -38.91 65.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.28 -46.4 5.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 105.96 159.59 22.55 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.503 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 25.1 p90 -148.03 161.95 40.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.826 0.346 . . . . 0.0 110.951 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 89.4 m -133.77 131.17 39.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.119 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -161.05 165.22 30.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' TRP . . . . . 0.413 ' CE2' ' HB2' ' A' ' 14' ' ' GLN . 71.9 m95 -97.13 117.19 30.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -90.78 102.97 15.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.943 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -61.16 116.68 4.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.771 HD22 ' C ' ' A' ' 112' ' ' GLY . 67.6 mt -65.09 146.69 54.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.942 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 59.3 p -133.88 -178.03 4.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.17 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -78.96 171.21 15.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' ASP . . . . . 0.419 ' HB2' ' CD2' ' A' ' 110' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.6 m . . . . . 0 C--O 1.232 0.145 0 CA-C-O 121.645 0.736 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -22.22 32.38 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.741 2.294 . . . . 0.0 112.315 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.729 HD22 ' O ' ' A' ' 111' ' ' LEU . 91.6 mt -89.35 -48.93 7.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 142.86 -177.19 22.02 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.519 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -136.38 -179.07 5.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.716 0.293 . . . . 0.0 110.932 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.634 HD12 ' SG ' ' A' ' 33' ' ' CYS . 16.7 tt -166.0 137.95 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -105.85 119.63 39.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.3 mt -135.11 140.03 45.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 93.9 m -104.54 104.19 13.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.179 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 61.2 mt -98.8 119.78 47.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.126 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.8 ttm105 -147.73 116.03 6.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.479 ' CE1' ' HB2' ' A' ' 85' ' ' LEU . 28.5 t-80 -99.74 102.36 13.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.4 t -70.68 137.81 50.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.899 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 63.8 p -82.91 -40.24 20.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -66.9 -14.56 62.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.921 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.7 mmm-85 -119.25 -29.92 5.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.1 m120 62.69 44.63 6.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.7 mttt -131.65 147.13 52.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.512 HD21 HD13 ' A' ' 93' ' ' LEU . 24.6 tp -101.26 108.17 19.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.7 mp -97.64 130.26 46.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.114 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.9 t -132.06 112.86 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.3 t -96.83 132.32 41.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.092 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.7 t -106.38 91.64 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.413 ' O ' HG23 ' A' ' 74' ' ' VAL . 98.3 m-70 -56.34 -73.15 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.443 ' HB1' ' O ' ' A' ' 73' ' ' PRO . . . -172.24 159.1 4.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.092 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.634 ' SG ' HD12 ' A' ' 13' ' ' ILE . 63.2 m -111.31 143.98 41.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -133.81 172.11 13.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 m120 51.88 44.19 29.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.506 HD11 ' CB ' ' A' ' 33' ' ' CYS . 86.5 mt -101.02 93.0 5.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.423 HD12 ' C ' ' A' ' 37' ' ' ILE . 2.5 pp -53.98 150.11 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -110.66 131.94 54.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -51.85 -29.07 18.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 41' ' ' GLU . 4.2 t -144.68 117.48 8.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 40' ' ' SER . 7.6 mm-40 -34.44 -44.79 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 41' ' ' GLU . 10.9 t0 -35.32 -49.08 0.5 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.88 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 152.14 153.16 6.16 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.0 p -138.94 158.7 43.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.846 0.355 . . . . 0.0 110.859 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.74 84.13 3.96 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.585 0.707 . . . . 0.0 110.831 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 140.68 43.29 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.71 2.274 . . . . 0.0 112.323 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -148.01 133.43 18.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.633 HG22 HG22 ' A' ' 97' ' ' VAL . 58.6 t -92.24 144.49 9.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.173 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.431 ' HD2' ' C ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -134.09 150.02 51.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 67.4 mtm -137.85 151.81 48.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -148.91 167.55 25.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.405 ' O ' ' O ' ' A' ' 55' ' ' ASP . 15.3 tp -123.34 87.89 2.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.536 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 45.3 mt -66.22 153.2 92.82 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.598 0.713 . . . . 0.0 110.904 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.6 Cg_endo -69.78 -46.77 0.34 Allowed 'Cis proline' 0 C--O 1.232 0.177 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.346 -0.1 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.873 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.571 ' HG3' ' CE2' ' A' ' 81' ' ' PHE . 28.3 mmt-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.885 0.374 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.3 pttt -137.77 169.23 18.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 49.3 p -96.49 156.48 16.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.163 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 40.5 t60 -53.2 156.29 2.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.5 t -95.11 108.4 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.8 m -90.26 146.93 23.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 72.0 mttt -119.16 165.3 14.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp 47.56 53.33 11.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.3 t -169.15 128.51 1.04 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 71' ' ' LEU . 21.0 mt -89.52 -30.86 17.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 14.0 p-10 -115.07 78.22 5.5 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.65 0.738 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.443 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 53.7 Cg_endo -69.81 162.78 40.79 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.649 2.233 . . . . 0.0 112.368 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.428 HG23 ' HB2' ' A' ' 32' ' ' ALA . 2.6 p -150.36 120.15 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.476 ' O ' ' N ' ' A' ' 77' ' ' GLN . 1.4 m-85 -114.76 -21.75 10.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 75' ' ' PHE . 1.5 m-20 36.56 30.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 75' ' ' PHE . 5.1 tt0 -82.77 164.58 20.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.8 t -130.39 117.82 20.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -102.74 174.49 5.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -154.6 153.39 31.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.571 ' CE2' ' HG3' ' A' ' 62' ' ' ARG . 51.0 m-85 -143.26 118.42 10.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 52.5 p -68.91 88.82 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.833 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.41 HG12 ' O ' ' A' ' 81' ' ' PHE . 2.4 p -143.83 134.21 21.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.112 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.476 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 1.4 m -73.87 146.51 44.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.842 HD13 ' C ' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -50.71 -44.91 85.81 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.612 0.72 . . . . 0.0 110.946 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.72 ' N ' HD13 ' A' ' 85' ' ' LEU . 65.0 Cg_exo -48.0 -41.66 32.85 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.718 2.279 . . . . 0.0 112.335 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 89' ' ' GLN . 33.6 mt-10 -82.57 -57.3 3.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.461 HG12 ' O ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -40.81 -24.45 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.163 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.598 ' OE1' HD11 ' A' ' 85' ' ' LEU . 15.1 mt-30 -61.16 -57.78 11.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.5 mtp-105 -73.36 -18.87 61.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 41.2 mtt180 -80.84 168.08 19.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.406 HG22 ' N ' ' A' ' 93' ' ' LEU . 97.8 m -139.51 153.06 47.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.122 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.512 HD13 HD21 ' A' ' 26' ' ' LEU . 4.9 tp -97.96 101.83 13.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.63 102.81 5.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 11.3 t -112.63 110.65 32.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.43 ' HB1' ' CE ' ' A' ' 98' ' ' LYS . . . -128.99 124.95 36.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.084 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.633 HG22 HG22 ' A' ' 48' ' ' VAL . 75.8 t -104.44 103.42 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.553 ' HE2' HD13 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -116.58 -177.51 3.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.843 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.593 ' HB3' HD11 ' A' ' 111' ' ' LEU . 12.4 p-10 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.553 HD13 ' HE2' ' A' ' 98' ' ' LYS . 7.0 tp . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.828 0.347 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.729 ' O ' HD22 ' A' ' 10' ' ' LEU . 96.0 mt -92.03 -45.65 8.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.435 ' C ' HD22 ' A' ' 133' ' ' LEU . . . -173.23 145.85 8.6 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.478 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -150.49 150.2 30.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.831 0.348 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 7.2 p -145.43 130.18 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -93.79 148.66 21.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 96.2 t -131.19 117.75 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -74.78 109.68 8.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 21.7 mt -85.66 25.2 1.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -90.55 23.76 2.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.074 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.8 t -101.35 159.87 14.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -90.64 -33.03 15.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -43.33 -24.47 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 124' ' ' ALA . 18.6 mt -44.25 -48.1 9.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 123' ' ' LEU . . . -37.27 -34.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 179.786 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -105.57 -42.99 5.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 98.72 160.64 29.83 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.443 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 30.3 p90 -147.42 171.81 14.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.865 0.364 . . . . 0.0 110.872 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 89.4 m -144.11 123.68 13.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -157.95 166.88 31.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' TRP . . . . . . . . . . . . . 80.7 m95 -91.78 109.41 20.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -79.92 103.84 10.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.968 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.88 120.53 10.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.83 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.435 HD22 ' C ' ' A' ' 112' ' ' GLY . 51.4 mt -69.0 155.24 40.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.938 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.584 ' HA ' HD12 ' A' ' 10' ' ' LEU . 34.6 p -147.94 161.47 41.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.449 ' HG3' HD11 ' A' ' 10' ' ' LEU . 29.8 mt-10 -74.24 158.98 33.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 136' ' ' ASP . . . . . 0.444 ' HB2' ' CD2' ' A' ' 110' ' ' LEU . 14.0 t0 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.9 p -128.06 139.0 52.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.886 0.374 . . . . 0.0 110.906 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.8 m -69.91 123.55 21.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.04 -136.32 2.91 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.436 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 m -50.04 153.8 1.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.904 0.383 . . . . 0.0 110.879 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.4 m -124.17 99.14 6.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.82 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.13 -152.25 18.17 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.437 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.4 m -119.32 83.17 25.13 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.69 0.757 . . . . 0.0 110.865 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -31.07 21.26 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.702 2.268 . . . . 0.0 112.356 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 134' ' ' THR . 50.9 mt -62.78 -46.72 86.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 134.7 176.78 14.53 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.513 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -134.52 -176.34 4.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.758 0.313 . . . . 0.0 110.937 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.625 HD12 ' SG ' ' A' ' 33' ' ' CYS . 12.3 tt -169.24 141.75 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.551 ' OE1' ' CD1' ' A' ' 130' ' ' TRP . 5.1 tt0 -109.98 120.33 42.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.741 HD11 HG11 ' A' ' 95' ' ' VAL . 48.5 mt -132.01 123.31 27.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 45.7 m -88.31 105.09 17.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 58.9 mt -97.56 126.63 50.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.151 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.2 ttt180 -151.6 109.37 3.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 -102.95 117.0 33.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.6 t -83.89 136.07 34.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.6 t -79.11 -33.94 43.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.838 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.442 ' OE1' ' NH1' ' A' ' 23' ' ' ARG . 47.0 tt0 -67.48 -48.61 66.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.98 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.442 ' NH1' ' OE1' ' A' ' 22' ' ' GLN . 7.1 mpt_? -86.78 -10.84 52.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.7 m120 47.49 48.91 16.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -130.15 157.65 41.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 49.1 tp -111.85 106.98 15.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.945 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.413 HD12 ' N ' ' A' ' 27' ' ' ILE . 4.0 mp -95.37 130.24 44.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.15 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.9 t -136.08 114.49 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.156 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.429 HG13 ' O ' ' A' ' 77' ' ' GLN . 20.8 t -99.44 135.92 32.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.138 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.543 ' HA ' HD23 ' A' ' 15' ' ' LEU . 11.3 t -108.71 81.73 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -46.6 -74.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -175.04 169.9 3.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.126 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.625 ' SG ' HD12 ' A' ' 13' ' ' ILE . 14.8 m -120.41 155.13 34.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.919 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -143.93 164.69 29.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.818 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 56.03 44.46 25.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.4 mt -98.58 94.0 6.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.61 ' O ' HD12 ' A' ' 37' ' ' ILE . 2.7 pp -51.43 141.48 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.139 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.539 ' HB2' ' CD2' ' A' ' 71' ' ' LEU . . . -105.52 129.07 53.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.089 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -54.39 -18.52 4.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.9 t -154.91 122.92 5.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -46.07 -39.05 8.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -38.61 -48.0 1.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 154.58 132.85 1.68 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.433 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.487 ' HB3' ' HB1' ' A' ' 38' ' ' ALA . 10.8 p -117.61 159.28 23.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.829 0.347 . . . . 0.0 110.872 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.28 81.71 10.96 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.633 0.73 . . . . 0.0 110.876 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 147.03 62.04 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.685 2.257 . . . . 0.0 112.367 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.414 ' HB3' HG22 ' A' ' 66' ' ' VAL . 14.6 p90 -158.67 144.6 16.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.942 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.565 HG22 HG22 ' A' ' 97' ' ' VAL . 62.7 t -94.66 140.1 17.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.102 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.475 ' NE ' ' CD1' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -121.96 124.9 45.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 40.3 mtm -112.69 125.48 54.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.475 ' CD1' ' NE ' ' A' ' 49' ' ' ARG . 5.4 m-85 -134.41 133.17 40.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.891 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 52' ' ' LEU . 6.4 tp -88.69 92.02 9.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.962 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.533 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 2.3 mm? -69.77 154.94 94.31 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.62 0.724 . . . . 0.0 110.909 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.6 Cg_endo -69.78 -40.05 1.19 Allowed 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.322 -0.103 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 54' ' ' PRO . 1.8 m-20 -36.57 119.85 0.65 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 57' ' ' ARG . 33.6 mtmt -122.07 13.16 10.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 56' ' ' LYS . 50.3 mtt180 -35.43 136.49 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 77.6 mtm-85 -85.45 26.81 0.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.2 p -108.64 -47.27 3.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.829 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -85.0 15.36 44.04 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.498 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.3 ttm180 -51.86 116.77 2.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 0.0 110.86 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 17.5 mmt180 -118.08 110.36 17.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.5 ptmm? -132.35 166.09 22.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 57.0 p -96.66 170.08 9.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 47.9 t60 -52.8 156.21 2.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.414 HG22 ' HB3' ' A' ' 47' ' ' TYR . 90.5 t -106.51 103.0 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 61.6 m -71.2 143.16 50.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.838 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.8 mtpt -117.45 144.97 44.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.905 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 35.8 mmtm 59.06 49.82 8.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.0 t -165.16 146.81 7.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.1 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.539 ' CD2' ' HB2' ' A' ' 38' ' ' ALA . 66.4 mt -102.32 -29.18 11.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.974 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 24.5 p30 -109.21 80.99 1.52 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.64 0.733 . . . . 0.0 110.945 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.446 ' HB2' ' CZ ' ' A' ' 75' ' ' PHE . 53.7 Cg_endo -69.75 152.14 69.31 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.736 2.291 . . . . 0.0 112.32 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 60.0 t -136.79 120.85 23.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.446 ' CZ ' ' HB2' ' A' ' 73' ' ' PRO . 0.9 OUTLIER -118.44 -38.52 3.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 45.84 32.4 1.27 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.856 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.429 ' O ' HG13 ' A' ' 29' ' ' VAL . 25.0 mt-30 -91.67 165.83 13.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 40.7 t -131.02 127.15 37.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -109.58 168.39 9.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -150.45 150.21 31.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -145.56 121.97 10.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 33.2 p -69.62 91.27 0.59 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.896 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.7 p -143.51 134.81 22.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.135 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.49 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 0.8 OUTLIER -73.77 148.53 42.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.835 -179.836 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.621 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 3.9 tp -54.83 -43.65 98.82 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.579 0.704 . . . . 0.0 110.929 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 65.5 Cg_exo -48.01 -35.29 25.04 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.667 2.244 . . . . 0.0 112.314 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -88.89 -62.76 1.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.536 HG12 ' HA ' ' A' ' 85' ' ' LEU . 1.4 p -43.76 -25.05 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.073 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.423 ' OE1' ' HA ' ' A' ' 86' ' ' PRO . 61.1 mt-30 -62.63 -57.63 10.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -76.18 -2.38 30.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 33.6 mtp180 -97.63 173.57 7.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.51 HG23 ' O ' ' A' ' 116' ' ' VAL . 4.4 m -138.85 152.71 48.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.2 tp -103.52 97.44 7.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.424 ' CB ' HD21 ' A' ' 53' ' ' LEU . 10.0 t70 -70.12 104.75 2.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.741 HG11 HD11 ' A' ' 15' ' ' LEU . 24.4 t -113.83 101.86 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.101 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.514 ' HB1' ' HZ2' ' A' ' 98' ' ' LYS . . . -119.06 133.35 55.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.167 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.565 HG22 HG22 ' A' ' 48' ' ' VAL . 98.8 t -108.64 98.7 7.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.143 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.514 ' HZ2' ' HB1' ' A' ' 96' ' ' ALA . 13.9 mttp -113.14 176.17 5.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.725 ' HB3' HD11 ' A' ' 111' ' ' LEU . 25.5 p-10 -109.04 127.95 54.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 37.2 t -80.0 47.42 0.88 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.828 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -92.07 63.98 2.39 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.485 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -84.13 39.19 2.87 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.512 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -113.29 105.57 13.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.859 0.362 . . . . 0.0 110.919 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.418 HD22 ' N ' ' A' ' 104' ' ' LEU . 3.8 mm? 61.44 42.28 11.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -132.79 -52.85 0.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm 71.21 36.94 1.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.858 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -161.71 158.04 25.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.403 ' H ' ' CD ' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -82.21 -23.98 35.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 50.11 81.75 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.515 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 11.1 tp -69.6 116.64 10.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.808 0.337 . . . . 0.0 110.89 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.725 HD11 ' HB3' ' A' ' 99' ' ' ASN . 14.5 mt -87.78 -43.45 11.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.44 ' C ' HD22 ' A' ' 133' ' ' LEU . . . -172.57 146.82 9.4 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.519 ' CA ' HD22 ' A' ' 133' ' ' LEU . 14.6 ptmt -151.68 148.33 27.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.807 0.336 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.471 HG21 ' HB3' ' A' ' 131' ' ' TYR . 7.6 p -142.89 141.95 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.104 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -104.43 144.84 31.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.51 ' O ' HG23 ' A' ' 92' ' ' THR . 84.0 t -126.57 133.75 67.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -89.62 112.9 24.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.04 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.442 ' CD1' HG22 ' A' ' 88' ' ' VAL . 26.7 mt -87.54 23.06 2.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -89.02 27.75 1.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.097 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 42.3 t -96.99 155.0 16.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.825 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -94.26 -23.67 17.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -83.55 37.29 0.57 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 15.1 mt -85.14 -37.08 20.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -50.29 -43.43 53.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 34.1 mttp -75.45 -48.55 22.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 96.09 151.11 27.8 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.498 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 21.0 p90 -141.51 163.63 32.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.828 0.347 . . . . 0.0 110.937 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 18.0 m -132.75 127.18 34.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.187 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -158.86 162.4 36.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.959 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' TRP . . . . . 0.551 ' CD1' ' OE1' ' A' ' 14' ' ' GLN . 78.0 m95 -95.78 110.27 22.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.471 ' HB3' HG21 ' A' ' 114' ' ' VAL . 26.5 m-85 -81.34 101.83 10.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.948 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.61 112.2 1.9 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.519 HD22 ' CA ' ' A' ' 113' ' ' LYS . 57.8 mt -61.81 146.16 50.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.956 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.471 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.1 p -135.77 172.6 12.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -67.68 167.35 13.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -57.95 -44.24 86.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.821 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 30.0 t -40.7 100.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -178.05 157.02 20.86 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.493 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 135.79 31.36 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.711 2.274 . . . . 0.0 112.322 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 69.8 m -108.51 78.0 1.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.821 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 41.0 t -85.15 70.43 10.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.842 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.48 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.8 m -48.73 172.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.845 0.355 . . . . 0.0 110.868 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.6 m -97.47 126.78 42.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.91 83.67 0.34 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.513 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.4 p -70.29 88.41 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.896 0.379 . . . . 0.0 110.82 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -89.09 127.01 35.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.848 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.72 -162.38 9.13 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.479 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.8 m -130.03 117.9 18.29 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.692 0.758 . . . . 0.0 110.863 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -30.22 22.77 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.686 2.257 . . . . 0.0 112.335 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.52 HD22 ' O ' ' A' ' 111' ' ' LEU . 42.6 mt -93.92 -39.61 10.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.978 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 140.88 -167.37 25.65 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -144.05 171.12 14.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.813 0.34 . . . . 0.0 110.9 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.3 tt -158.06 142.33 7.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.155 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.489 ' HB2' ' CE2' ' A' ' 130' ' ' TRP . 30.4 tt0 -111.9 116.33 30.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.792 HD11 HG11 ' A' ' 95' ' ' VAL . 8.9 mt -129.18 127.06 40.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.956 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 90.1 m -92.29 104.56 16.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.486 HD12 HG11 ' A' ' 116' ' ' VAL . 51.3 mt -97.28 123.88 49.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.16 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.6 ttt-85 -150.59 106.79 3.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 -99.66 123.97 44.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.0 t -93.22 135.86 34.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 90.6 p -74.42 -54.57 7.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.826 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -56.52 -43.13 79.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.956 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.446 ' O ' ' CG ' ' A' ' 24' ' ' ASN . 39.5 mtt-85 -85.36 -18.6 33.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.446 ' CG ' ' O ' ' A' ' 23' ' ' ARG . 6.8 p-10 46.23 40.65 7.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.1 mttt -123.93 141.87 51.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 48.1 tp -99.07 112.91 24.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.97 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.9 mp -103.53 129.5 55.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 50.8 t -133.99 112.75 16.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 43.3 t -97.23 140.58 17.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.6 t -114.76 77.61 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.13 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -44.16 -73.07 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -174.64 163.09 3.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.8 m -114.39 154.39 28.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -141.6 165.95 26.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 23.7 m120 55.26 42.9 29.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 37.7 mt -98.14 87.72 4.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.663 HD12 ' C ' ' A' ' 37' ' ' ILE . 1.8 pp -45.96 151.39 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -116.23 127.59 54.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -48.57 -24.54 1.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.6 t -145.53 118.67 8.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 42' ' ' ASP . 11.2 pt-20 -39.09 -45.13 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 41' ' ' GLU . 8.1 t70 -35.69 -50.43 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 158.62 148.47 5.19 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.517 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.3 p -131.97 155.9 47.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.908 0.385 . . . . 0.0 110.845 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.92 80.85 1.36 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.634 0.731 . . . . 0.0 110.851 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 144.7 55.0 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.665 2.243 . . . . 0.0 112.398 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.449 ' CB ' HG22 ' A' ' 66' ' ' VAL . 2.7 p90 -157.99 133.87 9.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.754 HG22 HG22 ' A' ' 97' ' ' VAL . 77.1 t -85.47 143.46 11.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.118 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 19.0 ttm180 -125.96 131.5 52.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 58.0 mtm -116.17 137.52 52.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -152.29 113.38 4.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.3 tp -73.15 93.45 1.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.586 HD23 ' HG3' ' A' ' 56' ' ' LYS . 72.8 mt -65.32 152.36 92.09 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.609 0.719 . . . . 0.0 110.918 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.5 Cg_endo -69.76 -34.96 2.87 Favored 'Cis proline' 0 C--N 1.341 0.152 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.345 -0.146 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 54' ' ' PRO . 2.3 m-20 -35.88 109.37 0.09 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.586 ' HG3' HD23 ' A' ' 53' ' ' LEU . 22.4 mtpt -125.0 14.92 8.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 33.1 mtt85 -63.29 135.15 56.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.06 -17.82 64.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.824 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.2 m -48.32 -69.41 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -92.62 48.82 2.57 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.528 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -85.91 139.55 31.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.83 0.348 . . . . 0.0 110.836 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.44 ' HB3' ' CD2' ' A' ' 79' ' ' PHE . 66.4 mmt-85 -136.23 112.21 9.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt -130.72 170.39 14.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 41.6 p -96.32 160.02 14.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 63.9 m-70 -53.04 167.84 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.873 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.449 HG22 ' CB ' ' A' ' 47' ' ' TYR . 95.4 t -110.18 109.43 28.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.502 ' OG ' HG23 ' A' ' 70' ' ' THR . 11.8 p -72.82 148.13 44.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 17.4 mtpt -121.21 140.66 51.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.943 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? 56.63 50.61 12.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.502 HG23 ' OG ' ' A' ' 67' ' ' SER . 4.3 t -163.38 142.8 8.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.153 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 72.3 mt -98.59 -31.11 12.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -108.89 81.65 1.57 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.628 0.728 . . . . 0.0 110.871 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.559 ' HB2' ' CZ ' ' A' ' 75' ' ' PHE . 53.5 Cg_endo -69.76 146.34 59.87 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.677 2.251 . . . . 0.0 112.376 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 63.1 t -131.03 115.71 30.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.559 ' CZ ' ' HB2' ' A' ' 73' ' ' PRO . 1.4 m-85 -113.59 -38.12 4.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.8 t70 46.91 35.35 3.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -89.99 161.16 16.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.97 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 27.9 t -130.51 118.18 20.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.839 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.44 ' CD2' ' HB3' ' A' ' 62' ' ' ARG . 15.4 m-85 -103.26 160.37 14.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -140.87 152.49 45.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.462 ' O ' HG12 ' A' ' 83' ' ' VAL . 4.9 m-85 -149.37 118.25 6.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 42.7 p -68.75 91.07 0.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.846 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.462 HG12 ' O ' ' A' ' 81' ' ' PHE . 2.0 p -143.28 136.34 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.109 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.439 ' C ' ' HD2' ' A' ' 86' ' ' PRO . 4.1 m -75.09 139.25 42.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.59 ' HA ' HG12 ' A' ' 88' ' ' VAL . 2.0 tp -46.25 -47.53 45.34 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.625 0.726 . . . . 0.0 110.884 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.554 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 65.3 Cg_exo -47.99 -30.81 14.56 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.735 2.29 . . . . 0.0 112.31 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -91.44 -43.45 9.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.904 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.59 HG12 ' HA ' ' A' ' 85' ' ' LEU . 1.0 OUTLIER -64.81 -19.79 26.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.156 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.581 ' HG3' HD12 ' A' ' 85' ' ' LEU . 80.1 mt-30 -64.87 -55.95 16.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -73.82 -7.06 50.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -95.27 173.54 7.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.539 ' CG2' HD12 ' A' ' 115' ' ' LEU . 62.2 m -143.65 146.05 32.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.5 tp -91.21 104.18 16.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -74.35 100.2 3.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.792 HG11 HD11 ' A' ' 15' ' ' LEU . 21.6 t -111.32 100.88 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -116.99 124.84 50.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.754 HG22 HG22 ' A' ' 48' ' ' VAL . 53.8 t -104.72 117.84 51.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.59 -176.5 5.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -92.5 141.01 28.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.943 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 72.5 p -66.12 154.41 39.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -109.22 -86.93 1.82 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.474 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 129.2 -133.2 7.45 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 14.4 p90 -130.69 17.46 5.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.924 0.393 . . . . 0.0 110.856 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 6.5 mt -98.69 -34.02 10.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 61.5 m -120.14 -174.88 2.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.78 -3.57 4.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.912 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -96.04 151.89 19.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.31 -29.92 7.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 46.01 83.09 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.466 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.53 HD11 ' HB3' ' A' ' 113' ' ' LYS . 5.1 tp -67.01 127.73 33.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.85 0.357 . . . . 0.0 110.874 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.52 ' O ' HD22 ' A' ' 10' ' ' LEU . 42.4 mt -88.35 -31.04 19.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -178.23 148.0 8.28 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.519 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.53 ' HB3' HD11 ' A' ' 110' ' ' LEU . 7.9 ptmm? -151.02 147.92 27.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.797 0.332 . . . . 0.0 110.94 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 12.1 p -147.84 129.04 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.124 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.539 HD12 ' CG2' ' A' ' 92' ' ' THR . 4.5 mm? -93.67 144.24 25.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.486 HG11 HD12 ' A' ' 17' ' ' ILE . 95.5 t -124.67 118.95 54.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.081 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -77.92 108.16 10.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.466 ' CD1' HG22 ' A' ' 88' ' ' VAL . 5.9 mt -84.21 24.88 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -84.47 24.22 1.02 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.054 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 46.2 t -85.72 178.87 7.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.855 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -124.15 -21.19 5.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -83.23 17.46 2.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 9.6 mt -59.67 -47.82 84.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -45.14 -33.75 2.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.11 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 11.5 mmmt -83.73 -29.66 27.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 73.82 150.9 1.85 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.517 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 21.4 p90 -148.22 165.69 30.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.787 0.327 . . . . 0.0 110.939 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 93.2 m -135.44 130.19 34.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.115 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -161.21 156.12 23.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' TRP . . . . . 0.489 ' CE2' ' HB2' ' A' ' 14' ' ' GLN . 86.5 m95 -89.56 116.23 27.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -88.66 99.66 12.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.949 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -54.42 125.12 18.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 28.8 mt -73.68 141.97 46.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.452 ' C ' ' CD1' ' A' ' 10' ' ' LEU . 82.4 p -125.34 -179.67 4.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.168 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -79.81 173.7 12.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.14 106.21 18.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 56.3 p -67.64 125.69 26.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 81.92 171.52 46.09 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.472 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -44.19 2.21 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.68 2.253 . . . . 0.0 112.341 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 7.4 t -54.31 98.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 8.3 t -78.03 92.84 4.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.521 -179.985 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.0 p -131.34 126.53 35.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.898 0.38 . . . . 0.0 110.873 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.8 p -96.73 163.37 13.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.21 -64.19 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.49 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.1 p -131.03 -53.45 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.883 0.373 . . . . 0.0 110.828 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -103.03 105.14 15.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.826 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.82 -75.48 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.512 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.467 ' CB ' ' HG3' ' A' ' 12' ' ' GLN . 20.3 m -107.2 92.54 8.09 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.677 0.751 . . . . 0.0 110.902 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -21.07 34.13 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.666 2.244 . . . . 0.0 112.339 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.684 HD12 ' HA ' ' A' ' 134' ' ' THR . 92.3 mt -93.5 -47.94 6.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 155.4 163.49 12.18 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.498 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.467 ' HG3' ' CB ' ' A' ' 8' ' ' SER . 23.0 mt-30 -125.25 166.7 16.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.762 0.315 . . . . 0.0 110.944 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.41 HG23 ' O ' ' A' ' 13' ' ' ILE . 18.6 tt -159.03 128.92 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.512 ' HB2' ' CE2' ' A' ' 130' ' ' TRP . 9.4 tt0 -102.11 123.19 45.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.658 HD11 HG11 ' A' ' 95' ' ' VAL . 6.2 mt -136.39 139.67 42.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 88.9 m -103.75 104.61 14.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.556 ' CD1' HG11 ' A' ' 116' ' ' VAL . 25.0 mt -98.8 116.47 41.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 36.6 ttt180 -147.64 106.31 3.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.452 ' CE1' ' HB2' ' A' ' 85' ' ' LEU . 11.4 t-80 -98.4 117.23 32.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.829 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 24' ' ' ASN . 5.1 t -83.51 125.47 31.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.43 ' O ' ' ND2' ' A' ' 24' ' ' ASN . 35.9 t -66.28 -53.73 33.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -50.26 -51.14 47.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.963 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.7 mtm180 -82.23 -21.44 36.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.493 ' N ' ' O ' ' A' ' 20' ' ' SER . 0.9 OUTLIER 54.58 53.98 9.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.894 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.8 mttt -135.64 153.08 51.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.9 tp -110.99 105.97 14.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.1 mp -97.07 130.63 45.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 28.8 t -132.28 116.25 28.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.108 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.3 t -102.14 131.03 51.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.119 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 20.3 t -105.91 77.88 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.153 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -41.11 -74.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -174.98 161.6 2.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.608 ' HB3' HD11 ' A' ' 36' ' ' LEU . 71.9 m -107.46 160.69 15.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -153.23 160.9 42.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 61.0 m-20 57.52 45.02 20.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.608 HD11 ' HB3' ' A' ' 33' ' ' CYS . 74.3 mt -98.63 86.94 3.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.652 ' O ' HD12 ' A' ' 37' ' ' ILE . 2.3 pp -48.39 132.92 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.15 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.452 ' HB2' ' CD2' ' A' ' 71' ' ' LEU . . . -93.83 132.17 38.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.154 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.555 ' CE2' ' O ' ' A' ' 108' ' ' LYS . 3.5 t80 -54.66 -23.08 15.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 41' ' ' GLU . 8.2 t -147.79 117.92 7.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 42' ' ' ASP . 31.9 mp0 -37.1 -45.56 0.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 41' ' ' GLU . 15.1 t70 -35.06 -50.42 0.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.834 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 147.57 137.07 2.88 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.524 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 53.6 m -122.21 167.58 13.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.859 0.362 . . . . 0.0 110.84 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.89 82.84 7.06 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.613 0.72 . . . . 0.0 110.896 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 144.06 52.81 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.688 2.259 . . . . 0.0 112.348 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.429 ' CB ' HG22 ' A' ' 66' ' ' VAL . 18.9 p90 -157.25 152.18 25.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.477 HG12 ' N ' ' A' ' 49' ' ' ARG . 79.6 t -99.74 156.83 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.14 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.477 ' N ' HG12 ' A' ' 48' ' ' VAL . 4.9 tpt180 -141.28 134.43 29.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.411 ' O ' ' CD1' ' A' ' 51' ' ' TYR . 48.4 mtm -119.57 139.12 52.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.462 ' CZ ' ' HB2' ' A' ' 61' ' ' ARG . 11.6 m-85 -151.13 120.75 6.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.939 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.1 tp -79.08 93.27 5.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.53 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 54.3 mt -73.49 151.95 89.63 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.571 0.7 . . . . 0.0 110.909 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.5 Cg_endo -69.81 -32.47 3.92 Favored 'Cis proline' 0 C--O 1.231 0.174 0 C-N-CA 122.709 -1.788 . . . . 0.0 112.336 -0.08 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 54' ' ' PRO . 11.8 m-20 -34.37 127.57 0.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.1 mtpt -126.9 31.81 5.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 55.6 mtt-85 -47.08 149.73 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.467 ' O ' ' CD ' ' A' ' 61' ' ' ARG . 13.0 mtp-105 -82.41 -38.73 23.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.0 t -75.58 -59.31 2.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -44.2 -31.34 2.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.466 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.467 ' CD ' ' O ' ' A' ' 58' ' ' ARG . 8.4 ptt180 -51.83 133.67 31.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.782 0.325 . . . . 0.0 110.886 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.3 mmp_? -131.07 133.83 46.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.2 ptpp? -138.49 166.43 24.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 40.8 p -98.12 176.58 5.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 -62.53 156.08 24.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.429 HG22 ' CB ' ' A' ' 47' ' ' TYR . 45.0 t -106.82 100.75 11.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 67.0 m -74.95 146.64 41.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.8 mttm -123.13 156.55 34.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.892 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.8 mmtp 56.67 44.24 24.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.3 t -163.74 166.4 22.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.146 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.452 ' CD2' ' HB2' ' A' ' 38' ' ' ALA . 56.9 mt -121.2 -26.53 5.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -110.38 77.05 1.16 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.6 0.714 . . . . 0.0 110.869 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.411 ' HB2' ' CZ ' ' A' ' 75' ' ' PHE . 54.0 Cg_endo -69.74 144.63 54.75 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.743 2.296 . . . . 0.0 112.355 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 91.2 t -125.76 120.79 58.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.411 ' CZ ' ' HB2' ' A' ' 73' ' ' PRO . 4.6 m-85 -114.31 -49.4 2.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.1 t70 53.82 39.93 30.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -96.12 161.01 14.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.4 t -130.45 110.87 11.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.858 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.409 ' CD1' ' N ' ' A' ' 79' ' ' PHE . 7.6 m-85 -99.78 159.88 14.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.412 ' O ' ' CD1' ' A' ' 81' ' ' PHE . 0.1 OUTLIER -143.42 156.86 44.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.865 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.412 ' CD1' ' O ' ' A' ' 80' ' ' ASP . 9.2 m-85 -149.97 136.98 19.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 40.0 p -85.76 90.3 8.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.4 p -143.77 137.85 24.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.099 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.437 ' C ' ' HD2' ' A' ' 86' ' ' PRO . 3.3 m -73.82 135.49 43.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.849 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.537 ' HA ' HG12 ' A' ' 88' ' ' VAL . 1.1 tp -43.72 -48.85 20.28 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.632 0.73 . . . . 0.0 110.942 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.529 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 64.9 Cg_exo -47.97 -34.22 22.2 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.691 2.261 . . . . 0.0 112.378 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.63 -50.42 8.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.831 HG22 HD12 ' A' ' 118' ' ' LEU . 1.4 p -64.68 -14.38 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.176 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.547 ' O ' ' HB2' ' A' ' 119' ' ' ALA . 8.0 mt-30 -65.86 -59.09 4.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.08 4.38 6.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.856 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 48.6 mtt-85 -98.04 172.88 7.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 38.8 m -137.71 133.65 34.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.157 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.49 ' HB2' HD21 ' A' ' 118' ' ' LEU . 5.7 tp -83.7 100.69 11.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.578 ' OD1' HD11 ' A' ' 115' ' ' LEU . 15.7 t70 -73.45 97.58 2.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.658 HG11 HD11 ' A' ' 15' ' ' LEU . 19.4 t -109.13 103.25 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.409 ' HB1' ' HD2' ' A' ' 98' ' ' LYS . . . -125.34 125.09 42.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.442 HG22 HG22 ' A' ' 48' ' ' VAL . 21.8 t -102.66 105.37 18.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.542 ' HG3' HD12 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -119.59 -178.65 3.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 179.873 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.512 HD22 HD21 ' A' ' 111' ' ' LEU . 9.6 p30 -105.84 144.31 32.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 42.4 t -73.51 155.67 38.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.819 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 159.67 -69.29 0.25 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -159.11 -169.51 22.53 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.465 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.454 ' O ' ' C ' ' A' ' 104' ' ' LEU . 4.6 t80 -89.74 166.89 13.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.902 0.382 . . . . 0.0 110.886 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.46 HD13 ' O ' ' A' ' 104' ' ' LEU . 0.3 OUTLIER -33.68 -42.08 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.907 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.9 t -41.93 -65.87 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 14.6 mmtp -112.55 30.45 7.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -73.67 143.3 46.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.555 ' O ' ' CE2' ' A' ' 39' ' ' PHE . 40.8 mttp -68.33 -27.98 66.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 128.64 153.5 8.04 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.542 HD12 ' HG3' ' A' ' 98' ' ' LYS . 5.3 tp -72.8 114.83 11.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.794 0.331 . . . . 0.0 110.948 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.512 HD21 HD22 ' A' ' 99' ' ' ASN . 69.2 mt -67.23 -54.41 21.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -170.13 144.11 8.26 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.489 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.505 ' HB3' HD11 ' A' ' 110' ' ' LEU . 17.8 ptmt -143.7 155.16 44.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 0.0 110.877 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 9.9 p -152.73 138.26 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.578 HD11 ' OD1' ' A' ' 94' ' ' ASP . 3.1 mm? -103.75 138.55 40.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.556 HG11 ' CD1' ' A' ' 17' ' ' ILE . 97.8 t -121.41 122.18 66.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.178 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -81.58 112.36 18.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.084 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.831 HD12 HG22 ' A' ' 88' ' ' VAL . 2.5 mt -89.51 20.57 3.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.933 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.547 ' HB2' ' O ' ' A' ' 89' ' ' GLN . . . -83.65 10.94 8.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.09 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.2 m -71.59 166.95 20.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -108.06 -3.83 18.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -106.66 47.98 0.86 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 14.4 mt -89.56 -52.8 4.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -37.17 -36.32 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 35.7 mttp -81.84 -45.85 14.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 90.22 154.8 30.35 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 26.9 p90 -146.37 156.3 43.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.837 0.351 . . . . 0.0 110.943 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 86.4 m -128.11 127.92 43.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.146 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -161.6 167.27 25.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' TRP . . . . . 0.512 ' CE2' ' HB2' ' A' ' 14' ' ' GLN . 84.0 m95 -98.4 123.12 42.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.956 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -96.1 103.65 15.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.921 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -64.41 117.18 6.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 55.0 mt -64.61 153.85 38.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.684 ' HA ' HD12 ' A' ' 10' ' ' LEU . 72.7 p -140.47 177.37 8.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.448 ' HG3' HD11 ' A' ' 10' ' ' LEU . 44.6 mt-10 -75.59 164.96 25.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -63.81 175.32 1.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.831 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 14.6 m -44.25 152.36 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.817 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -44.55 146.98 1.56 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.49 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -34.36 14.73 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.711 2.274 . . . . 0.0 112.33 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 70.4 p -57.99 159.43 5.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 22.8 t -101.39 126.3 48.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.482 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.456 -0.257 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.7 p -45.2 116.25 1.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.873 0.368 . . . . 0.0 110.868 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.8 m -81.77 -43.8 17.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.67 -151.72 51.79 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.536 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 t -127.26 158.72 36.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.886 0.374 . . . . 0.0 110.862 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -134.2 105.3 6.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.84 69.9 0.18 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.464 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 87.0 p -107.44 83.1 1.41 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.645 0.736 . . . . 0.0 110.834 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -21.62 33.36 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.688 2.259 . . . . 0.0 112.335 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.578 HD22 ' O ' ' A' ' 111' ' ' LEU . 92.4 mt -92.1 -28.31 17.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.944 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 127.83 172.42 13.22 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -125.56 174.85 7.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.756 0.312 . . . . 0.0 110.927 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.535 HD12 ' SG ' ' A' ' 33' ' ' CYS . 7.0 tt -167.95 130.51 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.135 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -101.74 129.61 47.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.945 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.977 HD11 HG11 ' A' ' 95' ' ' VAL . 42.1 mt -134.63 123.81 24.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.6 m -87.84 103.57 15.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.563 ' CD1' HG11 ' A' ' 116' ' ' VAL . 33.5 mt -98.28 120.11 47.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 35.8 ttt180 -149.16 108.71 3.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 25.5 t-80 -102.65 113.83 27.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.2 t -79.81 127.65 32.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 77.5 p -69.73 -45.56 67.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -60.32 -50.24 74.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 34.9 mtt180 -77.77 -28.79 50.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 60.69 51.0 5.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -134.45 155.12 50.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 37.1 tp -109.5 106.32 16.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.3 mp -100.62 133.11 44.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.121 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.2 t -134.28 111.81 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.2 t -96.8 124.76 49.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.152 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.584 HG22 ' CD2' ' A' ' 15' ' ' LEU . 62.7 t -100.89 85.28 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.136 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -48.55 -75.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -174.15 160.72 3.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.535 ' SG ' HD12 ' A' ' 13' ' ' ILE . 87.1 m -109.45 158.38 18.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -146.5 162.57 38.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 59.19 42.91 17.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 66.2 mt -96.18 88.58 4.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.748 HD11 HD22 ' A' ' 111' ' ' LEU . 2.6 pp -42.93 149.19 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.117 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.646 ' HB2' HD21 ' A' ' 71' ' ' LEU . . . -111.87 112.74 24.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.166 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -42.46 -32.63 0.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 41' ' ' GLU . 8.8 t -142.41 116.81 9.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 42' ' ' ASP . 7.7 tp10 -35.76 -44.58 0.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 41' ' ' GLU . 0.6 OUTLIER -35.29 -49.49 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 148.19 149.79 5.05 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.499 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.2 p -132.33 166.01 22.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.904 0.383 . . . . 0.0 110.861 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -115.02 81.82 8.04 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.574 0.702 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 139.78 40.88 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.697 2.265 . . . . 0.0 112.359 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.532 ' CD1' ' HB2' ' A' ' 100' ' ' SER . 33.7 p90 -150.39 136.98 18.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.499 HG23 ' CZ ' ' A' ' 75' ' ' PHE . 44.0 t -87.2 136.76 22.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.15 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.522 ' HD2' ' CE1' ' A' ' 51' ' ' TYR . 36.2 ttp180 -121.93 144.46 48.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.817 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.454 ' HE1' ' CD1' ' A' ' 79' ' ' PHE . 42.8 mtm -129.37 125.65 37.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.587 ' CE1' ' HB2' ' A' ' 61' ' ' ARG . 3.8 m-85 -128.15 133.52 48.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 52' ' ' LEU . 9.5 tp -89.94 91.5 8.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.543 HD13 ' HG3' ' A' ' 56' ' ' LYS . 2.1 mm? -79.46 154.06 76.44 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.592 0.711 . . . . 0.0 110.931 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.8 Cg_endo -69.77 -29.42 5.72 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.694 -1.794 . . . . 0.0 112.334 -0.079 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 54' ' ' PRO . 11.0 m-20 -33.86 103.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.869 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.543 ' HG3' HD13 ' A' ' 53' ' ' LEU . 22.4 mtpt -121.38 55.85 1.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 59' ' ' SER . 27.3 mmt180 -72.99 -4.64 33.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 57' ' ' ARG . 0.1 OUTLIER 34.05 35.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.843 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 57' ' ' ARG . 40.9 m -111.81 -70.03 0.83 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.825 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -85.89 30.83 4.15 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.475 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.587 ' HB2' ' CE1' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -48.56 139.19 9.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.786 0.327 . . . . 0.0 110.881 -179.849 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -110.36 124.44 51.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.2 pttm -144.0 169.79 17.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.482 HG22 ' HZ ' ' A' ' 79' ' ' PHE . 68.2 p -98.13 174.22 6.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -58.46 156.09 10.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 67.4 t -99.22 104.65 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.185 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 33.8 m -78.83 145.45 34.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.4 mttt -121.71 158.32 29.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 23.4 mmtm 48.27 50.05 16.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.9 t -165.19 139.79 5.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.646 HD21 ' HB2' ' A' ' 38' ' ' ALA . 53.9 mt -96.32 -30.69 13.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 -110.11 81.66 2.25 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.604 0.716 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 139.66 40.92 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.731 2.287 . . . . 0.0 112.361 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.3 t -120.67 105.66 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.136 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.499 ' CZ ' HG23 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -96.37 -51.08 4.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.3 t70 54.2 29.29 10.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -92.43 159.65 15.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.852 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.9 t -128.96 123.01 31.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.482 ' HZ ' HG22 ' A' ' 64' ' ' THR . 25.1 m-85 -105.33 175.03 5.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -154.56 153.41 31.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.401 ' O ' HG12 ' A' ' 83' ' ' VAL . 5.8 m-85 -150.65 117.59 5.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 35.4 p -68.02 91.79 0.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.401 HG12 ' O ' ' A' ' 81' ' ' PHE . 3.1 p -143.69 134.89 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.125 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.449 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 1.2 m -73.85 147.02 43.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.597 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 4.2 tp -51.39 -45.19 90.08 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.566 0.698 . . . . 0.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 65.1 Cg_exo -47.96 -39.45 32.53 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.694 2.263 . . . . 0.0 112.302 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -81.84 -58.86 2.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.611 HG22 HD12 ' A' ' 118' ' ' LEU . 1.4 p -51.0 -25.57 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.133 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.46 ' HG3' HD12 ' A' ' 85' ' ' LEU . 54.4 mt-30 -59.94 -47.16 86.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.0 ptp180 -81.77 -14.53 56.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 86.1 mtt-85 -82.36 177.99 8.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.0 m -146.28 143.08 28.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.3 tp -93.36 94.92 9.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.855 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.461 ' HB2' ' CD2' ' A' ' 53' ' ' LEU . 67.3 t0 -76.27 101.64 5.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.845 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.977 HG11 HD11 ' A' ' 15' ' ' LEU . 5.2 t -106.36 118.27 53.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.141 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.524 ' HB1' ' HD2' ' A' ' 98' ' ' LYS . . . -135.83 125.42 25.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 38.8 t -103.91 108.78 25.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.093 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.524 ' HD2' ' HB1' ' A' ' 96' ' ' ALA . 0.0 OUTLIER -126.36 -178.71 4.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.896 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -106.63 126.96 52.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.532 ' HB2' ' CD1' ' A' ' 47' ' ' TYR . 4.2 t -88.83 171.76 9.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 171.16 -63.31 0.16 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.467 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -92.37 110.25 3.88 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.48 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -59.1 -56.4 22.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.891 0.376 . . . . 0.0 110.894 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.403 HD22 ' HA ' ' A' ' 104' ' ' LEU . 0.3 OUTLIER -94.8 88.57 5.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.94 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 77.4 p -168.92 -179.25 3.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.0 ptpp? -105.63 92.6 4.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.45 106.98 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -118.81 -35.68 3.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -62.63 92.37 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.49 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.49 HD12 ' HG3' ' A' ' 98' ' ' LYS . 8.8 tp -98.85 124.0 43.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.835 0.35 . . . . 0.0 110.877 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.748 HD22 HD11 ' A' ' 37' ' ' ILE . 90.4 mt -83.32 -44.74 14.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.407 ' C ' HD22 ' A' ' 133' ' ' LEU . . . -176.83 147.52 8.46 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.503 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -146.24 152.1 38.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.727 HG21 ' HB3' ' A' ' 131' ' ' TYR . 7.8 p -144.81 127.64 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.524 HD22 ' N ' ' A' ' 115' ' ' LEU . 3.1 mm? -89.67 153.37 20.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.563 HG11 ' CD1' ' A' ' 17' ' ' ILE . 54.6 t -136.87 132.0 47.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -91.88 116.14 28.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.611 HD12 HG22 ' A' ' 88' ' ' VAL . 6.6 mt -93.62 22.86 5.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' A' ' 89' ' ' GLN . . . -90.82 25.32 2.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.9 m -87.78 -179.32 6.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -118.88 -10.23 9.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -97.88 47.55 1.01 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 124' ' ' ALA . 15.2 mt -91.8 -57.5 2.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 123' ' ' LEU . . . -34.06 -36.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.068 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 123' ' ' LEU . 0.1 OUTLIER -80.53 -50.19 10.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.899 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 96.99 150.55 26.96 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.492 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' TRP . . . . . 0.414 ' CZ3' HD23 ' A' ' 123' ' ' LEU . 23.5 p90 -143.81 165.05 28.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.848 0.356 . . . . 0.0 110.944 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 85.3 m -139.92 123.99 17.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.145 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.581 ' CD ' ' CE1' ' A' ' 131' ' ' TYR . 8.4 pt20 -151.46 157.63 42.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' TRP . . . . . . . . . . . . . 62.9 m95 -92.01 110.85 22.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.933 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.727 ' HB3' HG21 ' A' ' 114' ' ' VAL . 49.4 m-85 -88.62 106.58 18.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.926 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 30.0 p-10 -67.49 118.36 10.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.407 HD22 ' C ' ' A' ' 112' ' ' GLY . 18.0 mt -62.61 133.83 55.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 58.6 p -122.68 176.59 5.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -71.4 163.27 28.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -63.45 -49.26 74.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 17.7 m -69.17 -49.8 53.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.816 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 119.85 -94.47 0.57 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.499 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -179.47 2.93 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.742 2.295 . . . . 0.0 112.353 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 40.7 t -103.66 -58.35 1.89 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 40.8 t -87.5 -57.65 2.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.825 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.476 -179.96 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -129.13 82.82 2.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.936 0.398 . . . . 0.0 110.886 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 4' ' ' GLY . 64.7 m -47.92 120.15 3.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.889 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -37.3 137.98 0.57 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.488 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.4 t -65.53 -50.63 64.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.908 0.385 . . . . 0.0 110.906 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t 50.86 51.94 15.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.887 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.61 146.75 0.52 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.458 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.1 m -106.4 88.06 3.04 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.706 0.765 . . . . 0.0 110.832 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -23.49 30.73 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.704 2.27 . . . . 0.0 112.332 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.5 mt -87.0 -47.67 8.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 143.4 170.84 13.36 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.497 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -132.14 169.82 15.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.815 0.341 . . . . 0.0 110.918 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.463 HD12 ' SG ' ' A' ' 33' ' ' CYS . 7.2 tt -155.37 139.75 9.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.441 ' HB2' ' CE2' ' A' ' 130' ' ' TRP . 8.8 tt0 -103.61 124.94 49.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.956 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.699 HD11 HG11 ' A' ' 95' ' ' VAL . 73.7 mt -136.28 133.08 36.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.963 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.1 m -101.07 103.39 14.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.137 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.631 ' CD1' HG11 ' A' ' 116' ' ' VAL . 23.1 mt -99.48 122.8 51.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -153.83 110.99 3.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 24.1 t-80 -100.27 114.57 28.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.4 t -76.62 123.77 26.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.831 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.8 p -76.44 -11.25 59.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -94.36 -30.85 14.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.951 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -100.77 -25.28 14.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.3 m120 64.01 50.35 2.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -136.36 153.18 51.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.959 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 39.7 tp -110.22 106.37 15.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.414 ' N ' HD12 ' A' ' 27' ' ' ILE . 5.0 mp -97.59 137.11 26.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.4 t -140.44 113.49 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.096 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.3 t -96.45 140.05 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.546 HG22 ' CD2' ' A' ' 15' ' ' LEU . 13.8 t -120.99 87.88 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.548 ' O ' HG23 ' A' ' 74' ' ' VAL . 93.9 m-70 -54.64 -73.45 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.513 ' HB2' HG23 ' A' ' 74' ' ' VAL . . . -174.71 158.62 2.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.463 ' SG ' HD12 ' A' ' 13' ' ' ILE . 96.7 m -105.91 152.57 23.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 33.1 ptt85 -140.02 164.56 29.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 65.6 m-20 59.06 39.98 22.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.2 mt -95.56 95.66 8.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.661 ' O ' HD12 ' A' ' 37' ' ' ILE . 2.6 pp -56.92 133.17 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -96.73 119.02 34.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -43.72 -33.32 1.21 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 38.7 t -138.96 122.44 17.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 42' ' ' ASP . 19.1 mt-10 -44.37 -40.53 5.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 41' ' ' GLU . 34.0 m-20 -36.39 -50.66 0.77 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 151.75 139.48 2.97 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.506 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.9 m -122.56 164.66 17.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.823 0.344 . . . . 0.0 110.895 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.431 ' HB3' ' CG1' ' A' ' 66' ' ' VAL . 1.2 m-20 -119.96 82.63 28.94 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.632 0.73 . . . . 0.0 110.894 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 138.39 37.78 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.667 2.245 . . . . 0.0 112.381 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.707 ' HB3' HG22 ' A' ' 66' ' ' VAL . 23.6 p90 -147.93 134.33 19.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.969 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.5 t -95.39 130.04 44.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.134 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.471 ' HG3' ' CE2' ' A' ' 47' ' ' TYR . 31.3 mtm180 -120.7 136.88 54.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 60.3 mtm -118.56 130.68 56.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.855 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.438 ' CZ ' ' HB2' ' A' ' 61' ' ' ARG . 42.0 m-85 -135.56 114.48 12.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.7 tp -72.7 80.77 1.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.939 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.546 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 83.8 mt -61.31 152.14 73.88 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.643 0.735 . . . . 0.0 110.88 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 54.0 Cg_endo -69.76 -45.1 0.44 Allowed 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.669 -1.805 . . . . 0.0 112.34 -0.15 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.37 97.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.479 ' HE3' ' CD2' ' A' ' 53' ' ' LEU . 6.7 ptpp? -119.94 33.48 5.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -42.92 120.53 1.8 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -68.53 -33.77 74.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 t -50.44 -46.7 56.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -108.81 30.7 8.45 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.487 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.438 ' HB2' ' CZ ' ' A' ' 51' ' ' TYR . 15.3 ptt-85 -54.57 161.35 1.49 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.813 0.339 . . . . 0.0 110.894 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -132.32 115.7 15.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.451 ' CB ' ' HG2' ' A' ' 49' ' ' ARG . 8.5 ptmm? -144.24 170.92 15.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.571 HG22 ' HZ ' ' A' ' 79' ' ' PHE . 29.3 p -103.83 166.29 10.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.213 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 15.3 t60 -52.66 160.21 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.887 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.707 HG22 ' HB3' ' A' ' 47' ' ' TYR . 46.6 t -104.56 99.95 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.087 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 73.5 m -71.94 137.58 47.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 56.9 mttt -117.05 147.42 42.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.447 ' N ' ' HD3' ' A' ' 69' ' ' LYS . 0.0 OUTLIER 61.42 52.46 3.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.831 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.6 t -169.73 138.05 1.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.168 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 89.3 mt -94.93 -22.83 17.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.934 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -113.02 78.72 3.15 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.63 0.728 . . . . 0.0 110.868 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 130.93 20.24 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.679 2.253 . . . . 0.0 112.342 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 31' ' ' HIS . 4.8 p -127.16 121.12 57.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.101 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -112.78 -25.05 9.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 43.5 t0 41.91 33.75 0.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -95.79 160.0 14.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.3 t -131.03 122.9 27.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.571 ' HZ ' HG22 ' A' ' 64' ' ' THR . 3.9 m-85 -103.56 169.32 8.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -153.19 147.17 25.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -142.84 120.69 11.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 36.6 p -68.42 90.08 0.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 6.9 p -143.84 132.07 18.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.109 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.444 ' C ' ' HD2' ' A' ' 86' ' ' PRO . 1.3 m -73.67 144.69 45.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.646 ' HA ' HG12 ' A' ' 88' ' ' VAL . 4.5 tp -51.73 -44.83 91.45 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.604 0.716 . . . . 0.0 110.931 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 65.1 Cg_exo -47.95 -31.76 16.43 Favored 'Trans proline' 0 N--CA 1.466 -0.138 0 C-N-CA 122.687 2.258 . . . . 0.0 112.363 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -93.27 -54.59 3.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.646 HG12 ' HA ' ' A' ' 85' ' ' LEU . 1.7 p -50.28 -36.7 13.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.553 ' O ' ' HB2' ' A' ' 119' ' ' ALA . 28.0 mt-30 -47.3 -42.83 21.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.947 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -78.92 -32.78 45.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -66.18 -178.1 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.2 m -152.92 137.56 16.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.7 tp -83.14 107.45 15.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.969 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.406 ' OD1' ' C ' ' A' ' 94' ' ' ASP . 47.4 t0 -84.26 98.52 10.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.699 HG11 HD11 ' A' ' 15' ' ' LEU . 5.7 t -107.8 111.27 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.158 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -131.25 122.23 26.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.127 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 26.6 t -106.69 114.81 46.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.142 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.455 ' N ' ' HD3' ' A' ' 98' ' ' LYS . 0.1 OUTLIER -144.44 173.34 11.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.911 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 99' ' ' ASN . 0.8 OUTLIER -97.08 127.8 43.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.6 t -47.34 107.78 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.821 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -63.83 -106.55 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.462 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -165.71 -76.61 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.519 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -148.71 177.23 9.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.955 0.407 . . . . 0.0 110.847 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -41.87 -33.73 0.57 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 38.7 t -40.79 -40.11 1.26 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 21.6 mtpt -141.6 153.57 44.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.872 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.7 -175.55 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 109' ' ' GLY . 26.9 mtmm -86.59 19.84 2.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.953 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 108' ' ' LYS . . . 35.37 69.53 0.21 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.476 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.425 HD12 ' HD2' ' A' ' 98' ' ' LYS . 21.8 tp -61.19 116.4 4.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.81 0.338 . . . . 0.0 110.937 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 13.8 mt -86.49 -45.21 11.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.684 ' O ' HD22 ' A' ' 133' ' ' LEU . . . -171.77 130.48 1.95 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.46 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt -131.68 153.76 49.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.816 0.341 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.451 HG21 ' HB3' ' A' ' 131' ' ' TYR . 13.5 p -147.37 132.45 11.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -95.87 154.71 17.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.631 HG11 ' CD1' ' A' ' 17' ' ' ILE . 88.0 t -138.44 117.03 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -80.96 112.32 18.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.144 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.617 HD12 HG22 ' A' ' 88' ' ' VAL . 9.4 mt -84.85 24.48 1.05 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.553 ' HB2' ' O ' ' A' ' 89' ' ' GLN . . . -88.05 23.26 2.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.106 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.423 ' O ' HD12 ' A' ' 123' ' ' LEU . 41.1 t -98.02 163.83 12.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 31.6 mp0 -97.15 -24.11 15.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -56.12 -21.22 21.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.423 HD12 ' O ' ' A' ' 120' ' ' SER . 7.9 mt -44.05 -46.12 8.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -40.79 -41.03 1.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 10.6 mtmm -91.04 -56.74 3.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 112.92 151.5 11.06 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 17.7 p90 -148.95 164.17 35.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.823 0.344 . . . . 0.0 110.944 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 85.3 m -142.91 127.63 18.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.184 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -157.48 159.04 36.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.927 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' TRP . . . . . 0.441 ' CE2' ' HB2' ' A' ' 14' ' ' GLN . 84.0 m95 -86.28 105.28 16.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.451 ' HB3' HG21 ' A' ' 114' ' ' VAL . 24.4 m-85 -76.55 101.59 5.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -56.23 118.49 4.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.684 HD22 ' O ' ' A' ' 112' ' ' GLY . 67.5 mt -67.73 134.22 50.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 72.2 p -120.57 172.53 7.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.164 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -73.68 162.8 28.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.928 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -65.03 -48.55 73.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 11.6 t -74.18 119.94 19.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.82 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -119.18 -159.07 10.89 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 160.1 50.94 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.722 2.281 . . . . 0.0 112.35 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 11.2 t -85.03 145.16 27.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 65.8 m -73.67 -56.44 5.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.481 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.367 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 1' ' ' GLY . 18.6 m 34.85 51.31 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.881 0.372 . . . . 0.0 110.829 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 t -126.5 81.77 2.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.28 -50.76 9.53 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.516 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.1 p -124.27 126.76 46.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.87 0.367 . . . . 0.0 110.872 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.0 m -76.98 169.05 19.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.92 114.86 0.18 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.536 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.5 p -107.47 88.66 4.28 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.615 0.722 . . . . 0.0 110.868 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -18.07 37.16 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.692 2.262 . . . . 0.0 112.373 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 95.5 mt -96.45 -43.94 7.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 153.78 176.12 25.83 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.473 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -130.36 170.68 13.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.769 0.318 . . . . 0.0 110.906 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 18.2 tt -162.68 136.76 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -107.72 110.01 21.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.682 HD11 HG11 ' A' ' 95' ' ' VAL . 45.5 mt -122.99 135.57 54.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.4 m -102.92 108.27 19.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.154 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.564 HG21 HD22 ' A' ' 118' ' ' LEU . 20.6 mt -102.41 115.85 45.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.13 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 -148.47 115.76 6.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -97.51 112.73 24.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.486 ' O ' ' N ' ' A' ' 24' ' ' ASN . 30.7 t -74.21 126.35 30.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 61.3 p -71.88 -43.71 64.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -66.04 -38.65 88.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.7 mtt-85 -91.88 -20.6 21.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.486 ' N ' ' O ' ' A' ' 20' ' ' SER . 11.6 m120 51.81 51.69 16.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 47.4 mttt -137.28 150.88 48.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.575 HD13 HG21 ' A' ' 88' ' ' VAL . 16.6 tp -99.23 110.29 22.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.867 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.483 HD12 ' N ' ' A' ' 27' ' ' ILE . 4.0 mp -101.54 130.95 50.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.19 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 48.9 t -134.34 112.37 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.2 t -94.15 141.22 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.521 HG22 ' CD2' ' A' ' 15' ' ' LEU . 21.3 t -118.21 77.72 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.172 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -42.73 -74.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -175.03 161.35 2.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 85.4 m -109.17 164.79 12.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.847 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -163.72 151.84 13.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.0 m120 71.62 51.43 0.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.737 HD13 ' HB3' ' A' ' 46' ' ' PRO . 36.0 mt -102.4 86.7 2.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.632 ' O ' HD12 ' A' ' 37' ' ' ILE . 2.1 pp -38.74 132.47 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.594 ' HB3' ' HA ' ' A' ' 41' ' ' GLU . . . -86.49 142.21 28.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.086 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -53.03 -44.44 67.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.3 t -134.97 35.19 3.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.594 ' HA ' ' HB3' ' A' ' 38' ' ' ALA . 14.7 mt-10 39.68 32.7 0.1 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -111.99 -35.92 5.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 146.08 114.54 0.87 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.502 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.4 m -115.12 165.78 12.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.849 0.357 . . . . 0.0 110.877 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.42 86.7 3.61 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.602 0.715 . . . . 0.0 110.836 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.737 ' HB3' HD13 ' A' ' 36' ' ' LEU . 53.2 Cg_endo -69.79 142.17 47.09 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.653 2.235 . . . . 0.0 112.336 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 9.5 p90 -159.96 133.66 7.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.591 HG22 HG22 ' A' ' 97' ' ' VAL . 40.0 t -92.32 146.03 6.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 -137.49 138.75 40.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 59.9 mtm -116.08 140.61 49.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.443 ' CZ ' ' HG3' ' A' ' 61' ' ' ARG . 17.0 m-85 -145.55 113.62 6.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.4 tp -72.16 88.38 1.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.564 HD21 ' CB ' ' A' ' 94' ' ' ASP . 3.7 mm? -63.88 156.12 74.58 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.621 0.724 . . . . 0.0 110.889 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 54.0 Cg_endo -69.73 -35.15 2.8 Favored 'Cis proline' 0 C--N 1.342 0.212 0 C-N-CA 122.632 -1.82 . . . . 0.0 112.38 -0.213 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -42.76 131.08 4.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt -132.6 25.37 4.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.438 ' NH1' ' HB2' ' A' ' 57' ' ' ARG . 25.5 mtm105 -49.98 134.42 21.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 37.4 ttp180 -73.63 -43.78 58.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.2 t -40.43 -60.51 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -87.78 49.52 3.85 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.513 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.443 ' HG3' ' CZ ' ' A' ' 51' ' ' TYR . 17.1 ttt180 -100.63 121.26 41.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.791 0.329 . . . . 0.0 110.911 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.464 ' HB3' ' CD2' ' A' ' 79' ' ' PHE . 23.6 mmt85 -107.96 125.9 52.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -140.92 167.82 21.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.404 ' HB ' ' CG ' ' A' ' 75' ' ' PHE . 68.0 p -98.77 167.15 10.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.195 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -53.46 157.55 2.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.904 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 20.8 t -110.29 102.64 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.6 m -78.14 153.27 32.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.8 mtpt -122.99 146.03 47.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.65 53.58 8.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.3 t -163.71 137.46 5.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.109 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.554 ' O ' HD12 ' A' ' 36' ' ' LEU . 5.3 mp -92.58 -26.88 17.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -122.13 85.15 46.23 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.614 0.721 . . . . 0.0 110.91 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -175.03 1.03 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.712 2.274 . . . . 0.0 112.359 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.4 t -156.74 126.0 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.14 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.404 ' CG ' ' HB ' ' A' ' 64' ' ' THR . 11.7 m-85 -125.08 -50.68 1.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.889 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.8 t70 57.66 32.22 21.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -96.33 154.56 17.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.3 t -131.01 117.22 18.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.464 ' CD2' ' HB3' ' A' ' 62' ' ' ARG . 5.7 m-85 -101.84 167.76 9.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.868 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -149.33 156.23 41.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -145.54 124.62 12.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 62.9 p -70.31 91.03 0.72 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.7 p -143.44 141.82 25.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.109 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.463 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 1.6 m -80.83 147.7 30.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.607 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 8.0 tp -52.73 -44.53 95.82 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.637 0.732 . . . . 0.0 110.936 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.607 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 64.6 Cg_exo -47.95 -38.6 31.48 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.693 2.262 . . . . 0.0 112.344 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -84.4 -57.03 3.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.575 HG21 HD13 ' A' ' 26' ' ' LEU . 1.0 OUTLIER -49.78 -27.23 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.508 ' HG3' HD12 ' A' ' 85' ' ' LEU . 62.7 mt-30 -59.14 -49.74 76.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 25.1 mtp85 -78.75 -4.72 50.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 60.8 mtt-85 -97.44 171.2 8.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 32.6 m -139.4 150.06 44.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.132 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.6 tp -94.31 100.03 12.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.564 ' CB ' HD21 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -76.07 99.9 4.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.815 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.682 HG11 HD11 ' A' ' 15' ' ' LEU . 6.1 t -111.05 113.47 44.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -135.81 126.81 27.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.591 HG22 HG22 ' A' ' 48' ' ' VAL . 67.7 t -100.69 100.23 9.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.146 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.27 -176.47 3.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.474 ' O ' ' N ' ' A' ' 101' ' ' GLY . 14.4 p-10 -113.22 108.0 16.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.3 t -57.7 81.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.838 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 99' ' ' ASN . . . -175.8 80.26 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -103.47 -171.29 25.79 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.465 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -139.47 178.92 6.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.895 0.378 . . . . 0.0 110.876 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.46 HD22 ' N ' ' A' ' 104' ' ' LEU . 3.3 mm? -75.75 58.09 1.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 57.9 m -166.17 177.89 6.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp -81.06 95.8 6.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -141.52 142.57 33.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 109' ' ' GLY . 0.0 OUTLIER -118.58 -28.56 5.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 108' ' ' LYS . . . 35.36 44.14 0.57 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.491 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 21.9 tp -64.13 118.22 8.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.831 0.348 . . . . 0.0 110.924 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.426 HD11 ' HB3' ' A' ' 99' ' ' ASN . 35.4 mt -78.56 -39.79 36.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.95 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.505 ' C ' HD22 ' A' ' 133' ' ' LEU . . . 175.57 149.77 7.58 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.504 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.512 ' N ' HD22 ' A' ' 133' ' ' LEU . 7.5 pttt -152.97 158.81 42.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.791 0.329 . . . . 0.0 110.93 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.532 HG11 ' HB3' ' A' ' 131' ' ' TYR . 7.7 p -149.75 141.42 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.131 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -103.97 144.65 31.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.503 HG11 ' CD1' ' A' ' 17' ' ' ILE . 87.5 t -130.13 122.98 55.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.114 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -81.76 113.05 19.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.564 HD22 HG21 ' A' ' 17' ' ' ILE . 18.4 mt -88.49 20.46 3.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -83.43 16.07 2.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.089 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.9 m -94.42 157.31 16.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -91.74 -27.43 18.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -50.91 -18.29 0.74 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 14.0 mt -48.71 -31.38 6.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -52.27 -35.93 51.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.079 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 31.4 mtpt -98.91 -48.38 4.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 105.4 154.53 21.93 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.482 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 16.8 p90 -146.58 155.8 42.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.85 0.357 . . . . 0.0 110.912 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 91.6 m -131.22 131.28 43.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -160.77 162.85 32.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.958 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' TRP . . . . . . . . . . . . . 75.9 m95 -92.47 105.57 17.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.532 ' HB3' HG11 ' A' ' 114' ' ' VAL . 25.4 m-85 -74.58 103.46 4.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.937 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -63.0 116.58 5.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.512 HD22 ' N ' ' A' ' 113' ' ' LYS . 38.3 mt -62.69 138.47 58.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 25.4 p -130.56 -177.07 4.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -77.31 159.33 29.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.92 177.15 2.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.817 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 46.3 t -149.75 113.69 5.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.824 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 173.03 82.71 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.471 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -20.44 35.02 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.696 2.264 . . . . 0.0 112.336 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 22.6 t -48.53 138.05 10.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 43.1 t -120.88 92.65 3.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.511 -179.966 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.2 t -128.24 84.23 2.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.891 0.377 . . . . 0.0 110.881 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.9 m -118.63 154.45 32.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.839 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.73 76.52 1.07 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.482 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.2 m -95.73 172.09 8.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.874 0.368 . . . . 0.0 110.86 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.6 m -159.52 169.77 23.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.411 ' O ' ' HD3' ' A' ' 9' ' ' PRO . . . -69.87 145.58 41.87 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.534 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.2 t -88.92 108.09 21.54 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.65 0.738 . . . . 0.0 110.825 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.411 ' HD3' ' O ' ' A' ' 7' ' ' GLY . 53.9 Cg_endo -69.77 -24.28 29.79 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.649 2.232 . . . . 0.0 112.373 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.657 HD22 ' O ' ' A' ' 111' ' ' LEU . 21.4 mt -79.74 -44.66 20.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 143.81 -157.02 26.92 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.479 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -154.7 166.61 32.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 0.0 110.947 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.458 HD11 HD21 ' A' ' 15' ' ' LEU . 9.9 tt -148.87 128.95 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.429 ' HB2' ' CE2' ' A' ' 130' ' ' TRP . 28.0 tt0 -99.08 115.12 28.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.458 HD21 HD11 ' A' ' 13' ' ' ILE . 5.2 mt -134.5 156.58 48.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 98.1 m -115.71 105.53 12.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.624 ' CD1' HG11 ' A' ' 116' ' ' VAL . 22.8 mt -98.75 116.02 40.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.095 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -148.38 116.67 6.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 -98.26 113.08 24.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 24' ' ' ASN . 25.2 t -78.69 126.53 30.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 26.6 p -70.17 -46.65 64.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -59.96 -48.54 81.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.7 -27.78 33.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 20' ' ' SER . 7.1 m120 58.89 47.67 12.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.5 mttm -133.44 155.98 48.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.802 HD21 HD13 ' A' ' 93' ' ' LEU . 15.1 tp -106.37 106.03 16.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.4 mp -95.68 121.86 46.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.132 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 38.6 t -123.84 111.11 27.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.5 t -95.07 146.39 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.7 t -126.17 96.08 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -65.3 -72.54 0.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -174.31 157.2 2.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.406 ' SG ' HD12 ' A' ' 13' ' ' ILE . 27.0 m -106.92 152.29 24.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.564 ' HD3' ' CH2' ' A' ' 130' ' ' TRP . 20.7 ptt85 -142.02 159.3 42.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.847 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 62.1 46.59 6.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 29.7 mt -101.88 96.34 6.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.822 ' O ' HD12 ' A' ' 37' ' ' ILE . 2.8 pp -59.27 125.95 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.61 124.5 34.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.115 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -47.24 -32.39 4.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 41' ' ' GLU . 28.7 m -136.3 114.22 11.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.825 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 40' ' ' SER . 28.0 mt-10 -37.5 -42.9 0.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.922 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 41' ' ' GLU . 19.1 t0 -36.74 -46.65 0.62 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.832 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 150.74 144.6 3.95 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 51.3 p -131.54 153.67 49.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.874 0.369 . . . . 0.0 110.861 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.08 82.9 1.61 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.611 0.72 . . . . 0.0 110.855 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 141.31 44.72 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.664 2.242 . . . . 0.0 112.347 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 12.8 p90 -151.24 139.1 19.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 50.6 t -85.2 146.02 7.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.158 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.3 ttt180 -127.11 133.28 50.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 60.2 mtm -125.24 129.13 49.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -140.33 138.74 35.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 52' ' ' LEU . 6.3 tp -93.26 87.96 5.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.977 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.533 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 2.5 mm? -66.98 154.62 92.03 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.579 0.704 . . . . 0.0 110.915 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.9 Cg_endo -69.78 -38.98 1.44 Allowed 'Cis proline' 0 C--N 1.341 0.153 0 C-N-CA 122.672 -1.804 . . . . 0.0 112.376 -0.129 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -39.18 133.62 1.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 57' ' ' ARG . 12.1 mttm -131.55 30.51 4.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 56' ' ' LYS . 36.7 mtt180 -36.06 118.71 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.869 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -18.56 65.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.5 m -82.56 -39.06 22.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -81.64 13.07 37.52 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.4 ttp180 -60.75 109.03 0.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 0.0 110.861 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -110.88 124.59 52.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -146.19 171.31 15.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 74.0 p -96.19 166.35 11.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -51.37 160.62 0.55 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 26.1 t -109.48 104.62 17.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.7 t -79.41 140.35 37.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.81 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 35.0 mttp -117.5 156.27 28.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.883 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.8 mmmt 56.19 45.85 22.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.6 t -161.64 146.62 13.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.158 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 70.5 mt -99.5 -34.6 10.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 18.3 p-10 -109.82 81.17 1.9 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.612 0.72 . . . . 0.0 110.899 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 142.85 49.03 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.731 2.287 . . . . 0.0 112.35 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.7 t -126.74 122.15 60.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -110.88 -62.63 1.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.9 t0 74.27 28.62 1.36 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -96.2 156.12 16.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 44.4 t -130.14 125.03 34.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.485 ' CD1' ' N ' ' A' ' 79' ' ' PHE . 2.2 m-85 -112.25 163.23 14.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -146.33 149.62 34.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -138.33 129.56 27.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 78.4 p -73.41 92.74 1.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.811 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.7 p -143.68 133.68 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.465 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 1.2 m -74.96 147.65 40.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.609 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 4.2 tp -52.86 -44.54 96.51 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.616 0.722 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 64.9 Cg_exo -48.02 -34.44 23.08 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.644 2.229 . . . . 0.0 112.357 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -90.48 -53.95 4.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.533 HG21 HD13 ' A' ' 26' ' ' LEU . 0.8 OUTLIER -49.32 -31.84 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.185 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.413 ' OE1' ' HA ' ' A' ' 86' ' ' PRO . 73.3 mt-30 -55.47 -54.99 37.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.969 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.485 ' CZ ' ' HB2' ' A' ' 90' ' ' ARG . 15.5 mtm105 -71.95 -26.02 62.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -78.24 168.44 19.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.9 m -135.6 151.22 50.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.145 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.802 HD13 HD21 ' A' ' 26' ' ' LEU . 5.4 tp -94.56 101.01 12.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.71 99.91 3.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 32.5 t -112.63 101.44 12.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.158 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -125.61 127.12 45.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 84.1 t -97.06 98.77 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.107 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -113.11 172.62 6.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -109.9 130.74 55.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.3 t -78.35 -50.1 12.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.849 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 80.49 -62.63 4.3 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.498 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 62.17 -121.28 25.04 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.459 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 45.32 53.18 8.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.904 0.383 . . . . 0.0 110.888 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 6.0 mt 59.16 49.54 9.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.92 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 56.4 m -167.06 176.78 6.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.85 148.3 32.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -167.41 148.98 5.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 109' ' ' GLY . 6.6 mptt -114.01 15.37 18.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 108' ' ' LYS . . . -34.72 101.05 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.49 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 27.8 tp -78.62 106.67 10.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.825 0.345 . . . . 0.0 110.955 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.657 ' O ' HD22 ' A' ' 10' ' ' LEU . 27.4 mt -79.81 -33.14 40.66 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 175.76 141.22 3.71 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.465 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.3 ptmm? -137.76 152.94 49.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.811 0.338 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 7.2 p -148.13 126.4 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.16 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -96.0 146.61 24.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.624 HG11 ' CD1' ' A' ' 17' ' ' ILE . 78.3 t -129.52 108.72 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.23 107.54 1.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.12 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 9.2 mt -82.33 17.37 1.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -85.54 15.56 4.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.5 t -91.97 151.9 20.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.857 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -82.4 -23.57 34.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -56.26 -14.38 2.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 30.9 mt -58.56 -24.4 60.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -62.3 -25.22 67.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.09 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 52.7 mttm -107.9 -52.83 2.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 111.44 140.57 8.25 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.544 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 20.1 p90 -137.57 158.03 45.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.853 0.359 . . . . 0.0 110.899 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 89.0 m -138.79 129.36 26.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.514 ' OE1' ' N ' ' A' ' 130' ' ' TRP . 0.1 OUTLIER -162.15 162.78 28.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.943 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 130' ' ' TRP . . . . . 0.564 ' CH2' ' HD3' ' A' ' 34' ' ' ARG . 78.1 m95 -81.42 100.9 9.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.461 ' CE1' ' HG3' ' A' ' 129' ' ' GLN . 20.4 m-85 -72.8 103.28 3.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -60.76 131.64 51.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.847 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 95.0 mt -80.32 157.91 26.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 4.7 p -145.91 170.61 16.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -75.82 165.45 24.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -54.45 120.77 7.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 6.9 t -129.27 107.67 9.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -160.47 82.67 0.13 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.474 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -23.01 31.22 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.685 2.257 . . . . 0.0 112.342 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 61.1 m -129.75 166.45 19.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 25.9 t -112.26 -47.57 3.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 179.992 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.0 m -54.78 155.17 4.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.882 0.372 . . . . 0.0 110.876 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.7 m -50.12 100.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.849 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.19 63.97 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.482 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.9 m -50.37 146.4 5.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.923 0.392 . . . . 0.0 110.839 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.5 m -119.28 -54.54 2.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.87 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.99 109.4 2.88 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.523 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 45.6 p -115.9 81.58 9.9 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.678 0.751 . . . . 0.0 110.873 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -33.67 16.05 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.676 2.251 . . . . 0.0 112.328 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.482 ' CD1' ' HA ' ' A' ' 134' ' ' THR . 15.3 mt -75.52 -51.28 13.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.894 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.479 ' CA ' ' O ' ' A' ' 35' ' ' ASN . . . 144.35 173.34 15.65 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.492 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -125.46 167.21 15.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.824 0.345 . . . . 0.0 110.876 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.695 HD11 HD21 ' A' ' 15' ' ' LEU . 8.3 tt -154.88 133.09 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.192 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -101.85 121.6 42.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.727 HD11 HG11 ' A' ' 95' ' ' VAL . 30.3 mt -135.2 129.6 33.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.2 m -96.64 105.22 17.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.121 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.419 HG21 HD22 ' A' ' 118' ' ' LEU . 15.1 mt -98.79 124.27 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.16 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -154.02 109.08 3.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.504 ' CE1' ' HB2' ' A' ' 85' ' ' LEU . 19.0 t-80 -97.7 103.69 15.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.7 t -66.96 131.2 45.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 89.4 p -82.11 -6.61 59.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 12.8 tp60 -96.56 -39.76 9.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -93.91 -10.74 32.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.867 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 50.3 43.7 26.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.3 mttm -129.26 160.11 34.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 21.5 tp -114.92 107.86 15.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.3 mp -98.56 137.98 24.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.126 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.2 t -139.57 108.75 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.093 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 19.3 t -92.53 131.09 40.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.131 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.707 HG22 HD22 ' A' ' 15' ' ' LEU . 71.0 t -111.05 86.04 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.141 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.502 ' O ' HG23 ' A' ' 74' ' ' VAL . 90.5 m-70 -52.21 -71.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.638 ' HB2' HG23 ' A' ' 74' ' ' VAL . . . -174.93 161.77 3.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.081 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 68.0 m -108.05 169.24 8.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 34' ' ' ARG . 4.0 ptp180 -152.47 170.67 19.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.479 ' O ' ' CA ' ' A' ' 11' ' ' GLY . 2.3 m-80 46.81 47.93 15.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.0 mt -102.84 89.92 3.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.946 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.455 HD12 ' C ' ' A' ' 37' ' ' ILE . 2.6 pp -45.62 152.43 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -117.66 125.22 50.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.077 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -44.47 -32.57 1.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 41' ' ' GLU . 22.9 t -144.05 125.92 15.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 42' ' ' ASP . 21.6 tt0 -37.62 -45.58 0.78 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 41' ' ' GLU . 88.0 m-20 -34.77 -50.07 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 143.37 145.31 4.39 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.457 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.8 m -122.87 166.99 14.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.894 0.378 . . . . 0.0 110.855 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.29 82.24 2.59 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.599 0.714 . . . . 0.0 110.844 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 142.85 48.9 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.666 2.244 . . . . 0.0 112.345 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -156.7 136.19 12.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.416 HG12 ' N ' ' A' ' 49' ' ' ARG . 80.1 t -85.24 153.42 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.12 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.416 ' N ' HG12 ' A' ' 48' ' ' VAL . 21.6 ttt180 -135.63 134.1 38.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.402 ' HE1' ' CD1' ' A' ' 79' ' ' PHE . 66.2 mtm -125.43 118.66 26.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.578 ' CE1' ' HB2' ' A' ' 61' ' ' ARG . 5.0 m-85 -131.28 113.73 14.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.9 tp -68.53 90.97 0.4 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.931 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.539 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 46.8 mt -69.84 151.71 96.24 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.605 0.716 . . . . 0.0 110.911 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 54.0 Cg_endo -69.79 -30.93 4.87 Favored 'Cis proline' 0 C--O 1.232 0.205 0 C-N-CA 122.664 -1.807 . . . . 0.0 112.339 -0.147 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 54' ' ' PRO . 3.1 t70 -35.55 108.76 0.07 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.872 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.4 mtpp -110.71 32.81 4.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -52.17 107.02 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.843 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 -79.37 -25.72 42.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.9 m -68.32 -30.34 69.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.859 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -113.78 23.36 13.31 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.533 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.578 ' HB2' ' CE1' ' A' ' 51' ' ' TYR . 5.8 ptt180 -48.2 155.03 0.52 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.843 0.354 . . . . 0.0 110.865 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 5.5 tpt85 -132.12 109.25 9.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.4 pttt -141.5 171.25 14.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.675 HG22 ' CZ ' ' A' ' 79' ' ' PHE . 59.8 p -98.36 174.0 6.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.168 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 6.6 t-80 -56.1 174.52 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.852 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 67.6 t -120.87 99.36 7.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 74.9 m -76.84 148.33 36.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -123.38 157.49 33.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.6 mptt 53.45 54.28 10.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.8 t -168.99 136.3 1.86 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.16 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 94.7 mt -91.51 -30.9 16.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.936 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -109.96 77.55 1.14 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.631 0.729 . . . . 0.0 110.941 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 147.28 62.28 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.7 2.267 . . . . 0.0 112.319 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.638 HG23 ' HB2' ' A' ' 32' ' ' ALA . 3.5 p -140.1 133.62 35.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.092 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -124.56 -30.37 3.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.7 t70 46.71 36.74 3.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.841 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -97.74 157.66 15.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.4 t -126.73 119.57 27.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.675 ' CZ ' HG22 ' A' ' 64' ' ' THR . 26.3 m-85 -100.38 170.05 8.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -147.95 150.17 33.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -145.94 126.39 14.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 57.6 p -72.01 92.19 1.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.819 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.3 p -143.49 133.55 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.48 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 1.8 m -75.78 147.89 38.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.852 HD13 ' C ' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -52.31 -44.66 94.02 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.641 0.734 . . . . 0.0 110.951 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.728 ' N ' HD13 ' A' ' 85' ' ' LEU . 66.1 Cg_exo -47.99 -40.56 33.29 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.683 2.255 . . . . 0.0 112.333 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 89' ' ' GLN . 0.2 OUTLIER -80.83 -64.05 1.27 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.533 HG22 HD12 ' A' ' 118' ' ' LEU . 1.8 p -40.56 -24.63 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.088 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.811 ' OE1' HD11 ' A' ' 85' ' ' LEU . 12.2 mt-30 -57.25 -44.68 84.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 -92.61 -23.98 18.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.437 ' HG3' ' HA ' ' A' ' 88' ' ' VAL . 13.3 mmp_? -59.34 167.04 1.99 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.9 m -136.66 130.46 32.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.168 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.4 tp -85.72 103.73 14.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.402 ' HB2' HD11 ' A' ' 53' ' ' LEU . 17.7 t0 -76.68 97.43 4.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.835 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.727 HG11 HD11 ' A' ' 15' ' ' LEU . 20.3 t -108.56 100.98 11.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -125.28 127.49 46.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.112 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 96.3 t -100.14 98.77 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -112.98 -177.27 3.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -110.18 137.5 47.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.2 t -84.04 137.89 33.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -96.95 -47.54 2.24 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 165.34 -75.61 0.15 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.444 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 17.5 p90 -132.3 36.3 3.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.935 0.398 . . . . 0.0 110.893 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -99.95 169.31 9.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 31.5 m -103.25 -55.51 2.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 14.0 mtpp -138.14 158.79 43.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -153.6 155.96 37.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 21.8 mtmt -87.06 19.04 3.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -97.54 49.44 1.46 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.515 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 15.3 tp -70.27 111.83 6.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.847 0.356 . . . . 0.0 110.955 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 76.0 mt -75.57 -45.72 36.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.456 ' C ' HD22 ' A' ' 133' ' ' LEU . . . -173.7 149.73 11.25 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.502 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -154.77 154.66 33.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.769 0.318 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 5.6 p -152.74 122.95 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.141 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.416 HD22 ' N ' ' A' ' 115' ' ' LEU . 3.8 mm? -88.19 146.63 25.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 59.5 t -133.22 129.3 56.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.13 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -90.78 114.54 26.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.533 HD12 HG22 ' A' ' 88' ' ' VAL . 10.0 mt -85.89 28.87 0.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.459 ' HB2' ' O ' ' A' ' 89' ' ' GLN . . . -84.43 29.51 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.087 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 41.4 m -96.44 167.54 11.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -105.97 -17.86 14.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -92.98 47.09 1.25 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.512 HD23 ' CZ3' ' A' ' 127' ' ' TRP . 12.7 mt -88.99 -51.98 5.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -41.39 -44.35 2.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 10.6 mtmm -67.72 -42.08 82.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 87.91 151.2 21.56 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.498 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' TRP . . . . . 0.512 ' CZ3' HD23 ' A' ' 123' ' ' LEU . 18.5 p90 -148.66 154.66 39.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.866 0.365 . . . . 0.0 110.882 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 87.4 m -122.83 137.35 54.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -168.09 155.8 8.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' TRP . . . . . . . . . . . . . 82.5 m95 -92.63 111.19 22.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -83.78 106.65 15.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -61.47 124.79 21.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.456 HD22 ' C ' ' A' ' 112' ' ' GLY . 48.2 mt -65.25 156.94 30.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.482 ' HA ' ' CD1' ' A' ' 10' ' ' LEU . 82.7 p -148.22 162.33 39.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.157 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -78.33 162.3 26.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.831 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -55.33 127.8 31.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.904 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 71.1 m -131.93 -45.1 0.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 70.04 165.22 5.04 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.474 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 113.1 3.26 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.691 2.261 . . . . 0.0 112.34 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 18.2 p -78.06 -34.59 50.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 22.8 t -120.17 162.41 19.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.473 -179.959 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -162.23 151.33 15.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.89 0.376 . . . . 0.0 110.864 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.9 p -153.63 164.65 37.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.21 122.92 0.76 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.47 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.1 p -174.35 173.34 3.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.879 0.371 . . . . 0.0 110.89 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.1 t -45.35 138.84 3.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.6 162.35 1.3 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.467 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 55.4 m -140.94 123.6 9.69 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.718 0.771 . . . . 0.0 110.862 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -20.09 35.29 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.742 2.295 . . . . 0.0 112.319 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.877 HD22 ' O ' ' A' ' 111' ' ' LEU . 24.4 mt -100.45 -34.45 9.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 134.19 -166.47 24.08 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.472 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.7 mp0 -140.39 -177.62 5.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.727 0.298 . . . . 0.0 110.916 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.655 HD12 ' SG ' ' A' ' 33' ' ' CYS . 5.5 tt -168.55 127.91 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.496 ' HB2' ' CE2' ' A' ' 130' ' ' TRP . 12.7 tt0 -101.25 125.75 47.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.826 HD11 HG11 ' A' ' 95' ' ' VAL . 19.3 mt -136.43 130.18 32.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.0 m -93.41 108.48 20.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.173 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 52.8 mt -100.86 119.77 49.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -149.32 109.03 4.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 -100.65 107.57 19.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.876 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.3 t -73.15 143.71 47.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.821 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.9 p -83.48 -45.71 13.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.842 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.421 ' CD ' ' O ' ' A' ' 22' ' ' GLN . 1.5 tm0? -60.77 -23.45 65.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -108.08 -24.89 11.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 57.16 35.9 26.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.4 mttt -119.6 152.14 37.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.7 tp -104.83 104.83 14.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.2 mp -95.55 133.45 36.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.101 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.6 t -135.29 113.74 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.489 HG13 ' O ' ' A' ' 77' ' ' GLN . 13.1 t -98.02 127.33 50.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.446 HG22 HD22 ' A' ' 15' ' ' LEU . 24.9 t -101.04 85.58 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -48.3 -75.15 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -175.09 159.79 2.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.151 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.655 ' SG ' HD12 ' A' ' 13' ' ' ILE . 6.5 m -106.44 167.83 9.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.404 ' HB2' ' NH1' ' A' ' 34' ' ' ARG . 2.2 ptm85 -156.84 162.74 39.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 37.9 m-20 56.0 49.76 15.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.547 HD12 ' O ' ' A' ' 71' ' ' LEU . 85.3 mt -97.95 86.69 3.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.449 HD12 ' C ' ' A' ' 37' ' ' ILE . 2.0 pp -40.8 139.41 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.124 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.864 ' HB3' ' HA ' ' A' ' 41' ' ' GLU . . . -97.4 129.52 44.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.109 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -38.87 -41.77 0.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.5 t -132.09 29.24 4.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.864 ' HA ' ' HB3' ' A' ' 38' ' ' ALA . 17.5 mt-10 39.38 33.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -117.37 -38.11 3.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 151.77 108.57 0.39 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.482 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.4 m -112.44 177.81 4.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.9 0.381 . . . . 0.0 110.88 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 45' ' ' ASP . 0.1 OUTLIER -111.09 81.25 2.66 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.585 0.707 . . . . 0.0 110.902 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 137.95 36.8 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.717 2.278 . . . . 0.0 112.341 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.491 ' CB ' HG22 ' A' ' 66' ' ' VAL . 2.9 p90 -156.98 142.29 17.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.906 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.492 HG12 ' N ' ' A' ' 49' ' ' ARG . 40.0 t -89.4 157.91 2.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.147 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.492 ' N ' HG12 ' A' ' 48' ' ' VAL . 21.5 ttm180 -144.15 123.38 12.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.581 ' HE3' ' CD2' ' A' ' 79' ' ' PHE . 61.4 mtm -111.75 131.14 55.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -141.85 117.51 10.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 52' ' ' LEU . 6.0 tp -68.92 91.25 0.46 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.913 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.624 HD11 ' HB2' ' A' ' 94' ' ' ASP . 58.3 mt -71.73 151.41 93.39 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.631 0.729 . . . . 0.0 110.877 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 54.5 Cg_endo -69.7 -37.21 2.06 Favored 'Cis proline' 0 C--N 1.342 0.218 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.399 -0.189 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.459 ' C ' ' O ' ' A' ' 54' ' ' PRO . 86.3 m-20 -33.47 106.29 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.429 ' HE2' ' CD2' ' A' ' 53' ' ' LEU . 21.8 mttt -112.38 -0.1 15.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.449 ' HB2' ' CZ ' ' A' ' 57' ' ' ARG . 19.0 mtm105 -37.38 154.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 56.3 mtm180 -89.68 27.59 1.49 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.418 ' HB2' ' NH1' ' A' ' 57' ' ' ARG . 2.5 m -92.3 -56.4 3.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.839 -179.76 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -86.56 16.15 47.01 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.514 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 44.4 ttt180 -55.96 112.0 1.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.806 0.336 . . . . 0.0 110.864 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -133.31 135.31 44.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.7 ptpp? -141.71 171.3 14.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 70.4 p -96.24 173.13 7.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.196 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.47 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 5.7 m80 -61.12 132.53 54.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.491 HG22 ' CB ' ' A' ' 47' ' ' TYR . 41.7 t -88.12 105.99 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 69.3 m -85.9 153.87 21.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.831 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.1 mttp -123.08 144.24 49.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.4 mptt 63.02 43.68 6.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.0 t -154.45 138.71 16.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.547 ' O ' HD12 ' A' ' 36' ' ' LEU . 2.0 mp -93.56 -36.29 12.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.947 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 35.9 p-10 -111.5 79.41 2.3 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.622 0.725 . . . . 0.0 110.888 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.587 ' HB2' ' CZ ' ' A' ' 75' ' ' PHE . 54.3 Cg_endo -69.73 145.06 56.17 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.675 2.25 . . . . 0.0 112.377 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.3 t -121.48 135.4 61.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.088 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.587 ' CZ ' ' HB2' ' A' ' 73' ' ' PRO . 7.9 m-85 -133.07 -37.59 0.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.0 t70 43.9 29.63 0.33 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.489 ' O ' HG13 ' A' ' 29' ' ' VAL . 6.1 tt0 -83.33 163.03 20.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.5 t -124.1 120.87 33.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.581 ' CD2' ' HE3' ' A' ' 50' ' ' MET . 1.9 m-85 -100.86 167.69 10.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -154.07 149.87 27.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -150.76 125.95 9.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 54.9 p -74.17 90.52 2.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.812 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.4 p -143.7 135.44 23.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.106 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.492 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 0.7 OUTLIER -75.24 149.02 38.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.855 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.611 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 7.5 tp -53.12 -44.29 96.79 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.619 0.723 . . . . 0.0 110.922 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 65.3 Cg_exo -48.07 -37.9 31.21 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.66 2.24 . . . . 0.0 112.342 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 89' ' ' GLN . 3.9 mp0 -81.71 -69.79 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.501 HG22 HD12 ' A' ' 118' ' ' LEU . 1.5 p -40.16 -27.33 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.089 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 87' ' ' GLU . 56.1 mt-30 -60.28 -52.0 67.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -84.37 7.21 20.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.835 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 32.6 mtp85 -110.09 165.45 11.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.408 HG23 ' O ' ' A' ' 116' ' ' VAL . 10.9 m -127.06 145.38 50.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.403 ' HB2' HD11 ' A' ' 118' ' ' LEU . 4.6 tp -90.59 110.06 21.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.624 ' HB2' HD11 ' A' ' 53' ' ' LEU . 8.0 t70 -77.67 105.48 8.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.826 HG11 HD11 ' A' ' 15' ' ' LEU . 15.4 t -119.93 102.91 13.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.108 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -123.47 132.3 53.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.078 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 60.3 t -113.13 104.79 17.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.98 172.59 12.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.469 ' OD1' ' N ' ' A' ' 100' ' ' SER . 9.1 t30 -81.3 132.79 35.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.469 ' N ' ' OD1' ' A' ' 99' ' ' ASN . 10.4 t -68.88 136.64 52.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -66.51 -139.89 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.476 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 109.42 -67.33 0.23 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.469 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -112.37 40.06 2.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.912 0.387 . . . . 0.0 110.88 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 74.6 mt -135.28 149.49 49.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.941 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 15.5 m -91.18 6.56 44.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.44 137.45 40.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.883 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -107.43 -9.97 15.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 26.9 mmtm -83.33 22.17 1.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -78.63 54.75 4.11 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.494 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.7 tp -74.82 129.51 37.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.82 0.343 . . . . 0.0 110.952 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.877 ' O ' HD22 ' A' ' 10' ' ' LEU . 16.6 mt -92.16 -44.13 8.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.615 ' C ' HD22 ' A' ' 133' ' ' LEU . . . -172.83 151.03 13.16 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.494 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.682 ' N ' HD22 ' A' ' 133' ' ' LEU . 10.0 ptmm? -150.22 161.0 43.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.806 0.336 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 14.3 p -159.15 130.99 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.528 HD22 ' N ' ' A' ' 115' ' ' LEU . 2.9 mm? -97.53 148.93 22.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.408 ' O ' HG23 ' A' ' 92' ' ' THR . 93.7 t -128.79 134.86 63.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.133 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -87.48 113.08 22.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.501 HD12 HG22 ' A' ' 88' ' ' VAL . 9.9 mt -89.94 21.98 3.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -86.97 28.65 0.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.045 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.1 m -91.3 172.95 8.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.85 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -110.17 -28.62 8.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -82.78 48.94 1.4 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.408 HD23 ' CZ3' ' A' ' 127' ' ' TRP . 12.6 mt -88.29 -48.13 7.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -46.35 -38.16 8.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.108 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 24.4 mttp -77.19 -37.24 53.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 82.46 154.37 14.55 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.464 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' TRP . . . . . 0.408 ' CZ3' HD23 ' A' ' 123' ' ' LEU . 17.2 p90 -148.15 158.6 44.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.84 0.352 . . . . 0.0 110.939 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 85.6 m -129.0 134.23 48.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.125 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -167.82 155.86 8.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' TRP . . . . . 0.496 ' CE2' ' HB2' ' A' ' 14' ' ' GLN . 68.3 m95 -90.31 121.43 32.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -92.48 102.59 15.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -56.32 120.74 8.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.682 HD22 ' N ' ' A' ' 113' ' ' LYS . 20.4 mt -67.39 153.11 44.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 35.3 p -144.5 170.23 16.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -76.28 158.5 31.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -61.62 153.46 27.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 30.5 t -103.83 41.05 1.33 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -43.74 -92.69 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 140' ' ' SER . 53.0 Cg_endo -69.83 172.98 11.71 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.646 2.231 . . . . 0.0 112.311 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 139' ' ' PRO . 2.2 t 35.92 41.42 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 140' ' ' SER . 5.9 m -36.8 145.44 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.524 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t -112.49 121.62 45.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.889 0.376 . . . . 0.0 110.854 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.5 t -91.65 92.31 8.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.844 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.38 -126.1 4.61 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.453 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 t 52.0 52.24 14.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.878 0.371 . . . . 0.0 110.882 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.4 t -110.48 71.79 0.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.828 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.474 ' O ' ' C ' ' A' ' 8' ' ' SER . . . 95.95 40.35 4.08 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.445 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.474 ' C ' ' O ' ' A' ' 7' ' ' GLY . 64.9 p -32.55 95.94 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.618 0.723 . . . . 0.0 110.85 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.446 ' N ' ' O ' ' A' ' 7' ' ' GLY . 53.4 Cg_endo -69.8 -25.11 28.77 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.676 2.251 . . . . 0.0 112.33 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.462 HD22 ' O ' ' A' ' 111' ' ' LEU . 95.6 mt -100.79 -34.39 9.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 141.6 -176.42 21.88 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.427 ' HG3' ' CB ' ' A' ' 8' ' ' SER . 36.0 mt-30 -141.16 158.45 43.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.78 0.324 . . . . 0.0 110.944 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.3 tt -148.62 131.23 6.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.084 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.506 ' HB2' ' CE2' ' A' ' 130' ' ' TRP . 24.0 tt0 -98.78 119.13 37.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.816 HD11 HG11 ' A' ' 95' ' ' VAL . 46.4 mt -134.2 130.35 37.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 46.4 m -97.81 110.64 23.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.595 ' CD1' HG11 ' A' ' 116' ' ' VAL . 26.2 mt -99.72 123.07 52.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.155 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -152.59 111.59 3.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.43 ' ND1' ' C ' ' A' ' 19' ' ' HIS . 3.9 t-80 -103.42 117.65 34.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.824 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 24' ' ' ASN . 9.7 t -84.55 124.93 31.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 60.9 p -69.65 -35.22 75.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.821 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -66.45 -48.73 69.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.943 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.453 ' C ' ' CG ' ' A' ' 24' ' ' ASN . 24.8 mtp180 -87.25 -14.24 41.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.453 ' CG ' ' C ' ' A' ' 23' ' ' ARG . 0.7 OUTLIER 48.8 52.64 13.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.82 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.411 ' HE3' ' NH2' ' A' ' 23' ' ' ARG . 30.3 mttt -137.08 145.79 44.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.411 HD13 HG21 ' A' ' 88' ' ' VAL . 14.7 tp -99.32 108.71 21.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.422 HD12 ' N ' ' A' ' 27' ' ' ILE . 3.9 mp -100.17 126.61 53.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 18.0 t -131.65 116.01 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.8 t -94.46 148.6 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.4 t -125.47 84.34 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.176 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -51.71 -73.62 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -172.83 167.39 5.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.452 ' CB ' HD11 ' A' ' 36' ' ' LEU . 71.6 m -114.59 154.43 28.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -143.77 165.08 28.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.0 m120 52.03 48.67 22.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.452 HD11 ' CB ' ' A' ' 33' ' ' CYS . 76.3 mt -99.56 93.62 5.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.952 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.624 HD12 ' C ' ' A' ' 37' ' ' ILE . 1.9 pp -51.64 149.08 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -114.99 130.6 56.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.068 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -48.24 -28.2 2.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 35.4 t -147.19 129.37 15.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -43.94 -40.21 4.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -38.94 -40.52 0.66 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 136.18 162.63 9.6 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.448 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.1 m -149.16 172.09 15.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.865 0.364 . . . . 0.0 110.866 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.43 84.97 15.38 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.636 0.731 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 144.93 55.58 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.666 2.244 . . . . 0.0 112.395 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.533 ' HB3' HG23 ' A' ' 66' ' ' VAL . 14.0 p90 -156.29 142.8 18.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.623 HG22 HG22 ' A' ' 97' ' ' VAL . 46.3 t -98.71 140.73 17.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.127 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.406 ' HD2' ' CE1' ' A' ' 51' ' ' TYR . 56.1 ttp180 -123.18 160.96 25.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.423 ' HE1' ' CD1' ' A' ' 79' ' ' PHE . 51.2 mtm -142.78 120.84 12.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.406 ' CE1' ' HD2' ' A' ' 49' ' ' ARG . 3.5 m-85 -128.76 126.83 40.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 52' ' ' LEU . 12.6 tp -78.06 86.56 4.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.903 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.533 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 50.1 mt -67.74 155.46 91.42 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.606 0.717 . . . . 0.0 110.883 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.6 Cg_endo -69.76 -50.35 0.19 OUTLIER 'Cis proline' 0 C--O 1.232 0.184 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.343 -0.163 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 54' ' ' PRO . 3.2 m-20 -34.33 132.64 0.27 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.495 ' CD ' ' O ' ' A' ' 54' ' ' PRO . 0.0 OUTLIER -128.16 38.07 4.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -41.29 137.62 1.38 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.7 tpt85 -72.63 -25.28 61.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.1 t -74.76 -35.39 62.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.77 -1.49 58.83 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -48.41 117.18 1.86 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.82 0.343 . . . . 0.0 110.877 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 47.8 mmt-85 -136.8 108.85 7.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.2 ptmt -130.79 170.2 14.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 58.2 p -98.25 168.04 10.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.159 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -52.57 150.55 4.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.718 HG21 ' HB3' ' A' ' 100' ' ' SER . 10.4 p -111.55 99.53 8.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.096 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.4 m -73.95 152.65 40.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -120.89 161.82 20.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp 52.4 40.64 29.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.6 t -156.27 148.69 23.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.146 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 34.3 mt -105.67 -17.21 14.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -123.09 80.8 51.42 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.608 0.718 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 154.86 67.33 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.386 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 59.4 t -135.3 128.24 48.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.106 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -121.44 -64.06 1.26 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.9 t70 69.16 34.76 2.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.932 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -100.67 156.58 17.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.1 t -126.63 120.86 30.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.831 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.432 ' CD1' ' N ' ' A' ' 79' ' ' PHE . 3.3 m-85 -98.02 171.8 8.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -152.29 144.73 24.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.404 ' O ' HG12 ' A' ' 83' ' ' VAL . 7.2 m-85 -142.32 121.25 12.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 34.1 p -68.2 89.86 0.33 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.404 HG12 ' O ' ' A' ' 81' ' ' PHE . 2.8 p -143.7 136.13 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.435 ' C ' ' HD2' ' A' ' 86' ' ' PRO . 1.0 OUTLIER -74.77 144.18 43.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.855 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.566 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 3.2 tp -49.41 -46.28 77.74 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.606 0.717 . . . . 0.0 110.919 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.566 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 65.3 Cg_exo -47.96 -40.91 33.24 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.701 2.267 . . . . 0.0 112.333 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -79.69 -49.64 11.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.55 HG12 ' HA ' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -62.77 -16.87 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.449 ' O ' ' HB2' ' A' ' 119' ' ' ALA . 12.6 mt-30 -61.59 -54.33 44.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.942 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.12 -30.68 58.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 85.9 mtt-85 -65.74 172.6 3.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.7 m -141.9 144.58 33.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.0 tp -87.15 109.78 19.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.5 101.87 10.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.816 HG11 HD11 ' A' ' 15' ' ' LEU . 18.2 t -112.87 109.61 29.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -132.51 131.63 41.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.107 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.623 HG22 HG22 ' A' ' 48' ' ' VAL . 84.1 t -107.05 105.73 19.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.01 177.66 4.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -98.78 121.43 40.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.718 ' HB3' HG21 ' A' ' 66' ' ' VAL . 14.2 t -65.1 106.03 1.2 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.83 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -167.7 54.03 0.23 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.451 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -115.6 93.68 0.63 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -76.51 -48.11 20.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.877 0.37 . . . . 0.0 110.907 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 6.4 mp -91.06 -52.04 5.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 48.8 m -140.25 -179.35 5.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.2 mmtp -51.83 158.25 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.906 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -51.96 133.19 32.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.852 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.79 17.24 13.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -146.79 110.8 0.54 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.5 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.0 tp -87.93 125.57 34.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.813 0.339 . . . . 0.0 110.898 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.462 ' O ' HD22 ' A' ' 10' ' ' LEU . 44.5 mt -82.09 -41.56 20.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 179.12 152.94 11.0 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.491 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.488 ' N ' HD22 ' A' ' 133' ' ' LEU . 13.8 ptmt -153.02 153.21 32.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.814 0.34 . . . . 0.0 110.877 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.722 HG21 ' HB3' ' A' ' 131' ' ' TYR . 7.3 p -148.19 126.37 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.157 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -92.5 147.96 22.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.595 HG11 ' CD1' ' A' ' 17' ' ' ILE . 69.7 t -131.87 118.96 39.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.087 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.91 111.13 10.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.498 HD22 HG21 ' A' ' 17' ' ' ILE . 11.2 mt -87.01 19.15 3.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' ' 89' ' ' GLN . . . -82.85 8.52 12.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 96.6 p -74.73 165.03 25.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -104.05 -8.58 19.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -75.03 -9.15 58.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 12.6 mt -51.29 -32.74 25.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.401 ' HB3' ' HD2' ' A' ' 125' ' ' LYS . . . -50.66 -29.64 11.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.401 ' HD2' ' HB3' ' A' ' 124' ' ' ALA . 0.9 OUTLIER -113.38 -51.91 2.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 108.78 156.39 17.86 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.486 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 36.5 p90 -145.93 154.98 42.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.806 0.336 . . . . 0.0 110.965 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 27.2 m -120.66 130.82 54.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.104 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -163.63 160.39 22.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.941 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' TRP . . . . . 0.506 ' CE2' ' HB2' ' A' ' 14' ' ' GLN . 81.0 m95 -93.75 120.04 33.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.722 ' HB3' HG21 ' A' ' 114' ' ' VAL . 23.0 m-85 -88.93 102.35 14.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -56.99 117.8 4.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.488 HD22 ' N ' ' A' ' 113' ' ' LYS . 14.1 mt -64.72 133.19 51.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 81.6 p -121.73 -179.75 4.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -85.65 164.08 17.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -82.08 176.01 9.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.867 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 29.4 t -130.35 -40.86 1.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -111.0 82.69 0.3 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -31.32 21.01 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.71 2.273 . . . . 0.0 112.348 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 54.2 p -66.11 133.86 51.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.811 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 8.5 t -96.49 -56.8 2.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.884 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.455 -179.979 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -138.4 146.56 42.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.905 0.383 . . . . 0.0 110.867 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.3 p -84.87 -43.93 13.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.8 -136.12 12.52 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.506 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.4 m -131.31 171.79 12.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.832 0.349 . . . . 0.0 110.91 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.1 t -90.1 135.14 33.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.832 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 49.19 -158.99 1.01 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 62.8 m -122.33 83.16 46.19 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.664 0.745 . . . . 0.0 110.846 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -20.37 34.85 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.651 2.234 . . . . 0.0 112.303 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.937 HD22 ' O ' ' A' ' 111' ' ' LEU . 95.8 mt -92.98 -46.04 7.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 146.64 -169.65 27.78 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.516 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -144.16 158.86 43.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.792 0.33 . . . . 0.0 110.929 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.664 HD12 ' SG ' ' A' ' 33' ' ' CYS . 2.9 tt -154.36 134.77 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.447 ' OE1' ' CD1' ' A' ' 130' ' ' TRP . 6.4 tt0 -104.46 123.87 48.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.906 HD11 HG11 ' A' ' 95' ' ' VAL . 21.7 mt -132.6 124.31 28.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.9 m -88.22 108.08 19.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.187 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.442 ' CD1' HG11 ' A' ' 116' ' ' VAL . 53.3 mt -101.52 122.23 53.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.143 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.451 ' HG3' ' CA ' ' A' ' 126' ' ' GLY . 13.7 ttm105 -151.53 106.26 3.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -98.42 116.22 30.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.823 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 24' ' ' ASN . 14.9 t -81.95 129.83 34.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.5 p -73.36 -43.32 60.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -61.13 -40.4 93.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 66.5 mtt180 -92.7 -24.03 18.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 20' ' ' SER . 12.7 m-80 56.38 51.89 10.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.2 mttm -132.18 150.04 52.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.421 HD21 HD13 ' A' ' 93' ' ' LEU . 24.0 tp -105.5 104.46 14.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.462 HG23 ' O ' ' A' ' 79' ' ' PHE . 5.4 mp -100.55 137.46 28.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.116 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.9 t -137.17 116.12 14.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.165 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.5 t -96.63 129.78 46.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.5 t -108.65 83.49 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.126 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.547 ' O ' HG23 ' A' ' 74' ' ' VAL . 96.6 m-70 -51.63 -73.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.836 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.61 ' HB2' HG23 ' A' ' 74' ' ' VAL . . . -174.57 159.01 2.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.044 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.664 ' SG ' HD12 ' A' ' 13' ' ' ILE . 38.2 m -106.2 164.01 12.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.481 ' HD3' ' CH2' ' A' ' 130' ' ' TRP . 7.3 ptm180 -149.95 161.03 43.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 59.16 41.73 19.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.9 mt -95.02 94.03 7.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.649 HD11 HD22 ' A' ' 111' ' ' LEU . 2.2 pp -50.59 160.37 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -122.86 134.84 54.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -59.83 -22.58 62.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.2 t -154.54 119.79 5.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.845 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 42' ' ' ASP . 18.6 tt0 -37.64 -41.48 0.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 41' ' ' GLU . 5.1 t0 -37.02 -47.47 0.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 150.39 146.65 4.37 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.516 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.3 p -128.78 163.68 24.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.884 0.373 . . . . 0.0 110.86 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.8 81.04 6.97 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.621 0.724 . . . . 0.0 110.875 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 148.18 64.44 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.704 2.269 . . . . 0.0 112.319 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.693 ' HB3' HG22 ' A' ' 66' ' ' VAL . 21.8 p90 -161.96 154.48 19.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.6 t -104.33 142.5 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.116 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 29.7 ttt180 -131.04 124.84 31.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 69.8 mtm -115.89 118.47 33.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -124.63 122.94 38.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 52' ' ' LEU . 9.3 tp -74.8 88.43 2.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.543 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 83.8 mt -67.78 153.56 94.93 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.611 0.72 . . . . 0.0 110.936 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.8 Cg_endo -69.72 -38.41 1.63 Allowed 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.345 -0.14 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.454 ' C ' ' O ' ' A' ' 54' ' ' PRO . 13.8 t70 -34.29 114.09 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -116.15 -5.58 11.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -44.32 168.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.6 tmm_? -78.62 -18.9 53.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.6 t -59.69 -23.7 63.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -111.53 12.67 27.96 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.493 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.421 ' C ' ' HD2' ' A' ' 61' ' ' ARG . 0.4 OUTLIER -61.81 115.67 4.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.758 0.313 . . . . 0.0 110.877 -179.854 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -137.28 113.94 10.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.1 pttm -145.6 164.38 31.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.454 HG22 ' CZ ' ' A' ' 79' ' ' PHE . 10.2 p -97.95 175.24 6.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.11 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.433 ' CG ' ' N ' ' A' ' 66' ' ' VAL . 86.5 t60 -57.35 166.56 1.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.693 HG22 ' HB3' ' A' ' 47' ' ' TYR . 23.3 t -111.32 99.64 9.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.541 ' HB3' HG21 ' A' ' 70' ' ' THR . 20.0 m -66.24 142.48 57.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.7 mtpt -117.34 154.72 30.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.4 mptt 46.25 54.14 8.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.884 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.541 HG21 ' HB3' ' A' ' 67' ' ' SER . 11.9 t -162.78 149.71 13.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 46.0 mt -107.96 -32.97 7.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.886 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -107.55 75.69 0.49 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.606 0.717 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 152.49 69.53 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.701 2.268 . . . . 0.0 112.313 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.61 HG23 ' HB2' ' A' ' 32' ' ' ALA . 2.5 p -147.54 120.13 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.141 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.45 ' O ' ' CG ' ' A' ' 76' ' ' ASP . 0.8 OUTLIER -110.85 -32.68 6.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.45 ' CG ' ' O ' ' A' ' 75' ' ' PHE . 0.7 OUTLIER 47.23 39.42 8.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -97.65 145.11 26.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 37.3 t -113.74 113.09 24.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.462 ' O ' HG23 ' A' ' 27' ' ' ILE . 19.8 m-85 -96.74 170.37 9.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.88 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -153.7 143.39 21.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.877 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -137.09 126.93 25.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 69.1 p -74.35 90.26 2.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.826 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.7 p -143.56 134.63 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.173 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.465 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 1.5 m -74.25 147.97 41.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.607 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 4.4 tp -52.47 -44.63 94.77 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.59 0.71 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.607 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 65.6 Cg_exo -48.02 -41.58 33.03 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.664 2.243 . . . . 0.0 112.333 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -79.16 -64.89 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.625 HG22 HD12 ' A' ' 118' ' ' LEU . 1.3 p -42.12 -40.74 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.112 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.462 ' N ' ' CG1' ' A' ' 88' ' ' VAL . 65.2 mt-30 -45.26 -43.22 10.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 87.2 mtt-85 -84.84 -20.35 31.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 55.5 mtt180 -82.67 168.39 17.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 25.9 m -135.75 145.74 46.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.178 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.421 HD13 HD21 ' A' ' 26' ' ' LEU . 5.3 tp -91.2 96.57 10.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.645 ' HA ' HD13 ' A' ' 115' ' ' LEU . 23.5 t70 -71.63 99.31 2.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.906 HG11 HD11 ' A' ' 15' ' ' LEU . 11.6 t -108.6 106.63 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.115 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -122.89 125.62 45.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.133 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 43.3 t -108.68 101.56 12.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.1 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.76 -176.75 3.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.483 ' HB3' HD11 ' A' ' 111' ' ' LEU . 6.6 p30 -99.22 115.64 29.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.8 t -42.65 98.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -101.06 -117.25 4.16 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.532 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -39.6 99.71 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.49 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -60.64 127.92 34.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.838 0.352 . . . . 0.0 110.931 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.5 mm? 40.26 43.42 1.41 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.932 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.1 t -156.86 177.18 11.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.812 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.7 ptmt -42.62 143.33 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.56 109.21 16.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 9.1 pttt -116.99 22.06 12.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.825 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -123.89 70.79 0.44 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.532 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 14.5 tp -93.51 126.07 38.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.836 0.35 . . . . 0.0 110.914 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.937 ' O ' HD22 ' A' ' 10' ' ' LEU . 54.5 mt -89.88 -52.13 5.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.617 ' C ' HD22 ' A' ' 133' ' ' LEU . . . -163.77 147.98 13.95 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.475 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -149.36 160.09 43.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.814 0.34 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.558 HG11 ' HB3' ' A' ' 131' ' ' TYR . 7.2 p -154.9 127.07 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.143 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.645 HD13 ' HA ' ' A' ' 94' ' ' ASP . 3.5 mm? -90.85 146.37 23.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.442 HG11 ' CD1' ' A' ' 17' ' ' ILE . 92.2 t -128.11 116.99 44.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.104 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.41 111.01 8.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.077 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.625 HD12 HG22 ' A' ' 88' ' ' VAL . 11.9 mt -83.58 19.57 1.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.938 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -83.51 19.41 1.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 42.0 m -83.23 161.91 21.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -106.0 -17.9 14.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -90.53 41.12 1.04 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 13.5 mt -83.49 -49.87 8.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -42.0 -42.37 2.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.445 ' HG3' ' N ' ' A' ' 126' ' ' GLY . 37.0 pttt -71.89 -43.69 64.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.451 ' CA ' ' HG3' ' A' ' 18' ' ' ARG . . . 89.99 147.25 16.81 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 15.3 p90 -144.92 156.69 44.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.844 0.354 . . . . 0.0 110.878 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 98.9 m -130.28 131.85 45.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -161.04 160.48 30.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.931 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' TRP . . . . . 0.481 ' CH2' ' HD3' ' A' ' 34' ' ' ARG . 73.8 m95 -93.64 109.94 21.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.944 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.558 ' HB3' HG11 ' A' ' 114' ' ' VAL . 26.7 m-85 -80.87 101.49 9.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -61.31 115.26 3.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.617 HD22 ' C ' ' A' ' 112' ' ' GLY . 30.1 mt -62.86 135.18 57.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.491 ' CA ' HD12 ' A' ' 10' ' ' LEU . 44.7 p -124.66 171.69 9.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -70.91 165.25 23.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 22.9 p-10 -66.27 130.57 43.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.843 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 18.0 m -124.71 128.03 48.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 96.11 82.56 1.62 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.454 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -29.73 23.26 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.655 2.236 . . . . 0.0 112.355 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 96.5 p -67.91 162.91 23.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.824 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 80.4 p -100.53 99.01 9.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.827 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.471 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.5 m -90.43 41.93 1.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.838 0.352 . . . . 0.0 110.84 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.5 m -42.33 112.13 0.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.14 -143.7 3.75 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.457 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.6 t -71.7 94.55 1.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.372 . . . . 0.0 110.829 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -99.98 88.23 3.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.828 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.87 108.69 0.21 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.415 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . 19.5 t -40.31 113.54 0.96 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.646 0.736 . . . . 0.0 110.862 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 8' ' ' SER . 53.5 Cg_endo -69.79 -23.28 30.82 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.674 2.249 . . . . 0.0 112.316 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.493 HD11 ' HG3' ' A' ' 135' ' ' GLU . 63.3 mt -101.22 -41.79 6.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.458 ' CA ' ' O ' ' A' ' 35' ' ' ASN . . . 142.73 175.93 16.35 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.457 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -130.1 172.53 11.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.785 0.326 . . . . 0.0 110.94 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.566 HD11 HD21 ' A' ' 15' ' ' LEU . 13.5 tt -163.48 130.33 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.131 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.605 ' O ' HD23 ' A' ' 15' ' ' LEU . 7.1 tt0 -99.43 122.46 42.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.951 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.891 HD22 HG22 ' A' ' 30' ' ' VAL . 39.5 mt -135.32 117.4 15.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.7 m -79.82 101.95 8.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.598 HG21 HD22 ' A' ' 118' ' ' LEU . 40.2 mt -96.84 111.7 27.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.132 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.0 ttm180 -143.44 125.61 15.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 38.6 t-80 -103.13 101.98 11.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.8 m -66.39 122.18 16.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 72.5 p -69.96 -46.23 65.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -63.36 -47.6 81.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.4 mtp85 -79.05 -22.53 45.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.5 m120 56.44 47.11 19.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.5 mttt -139.65 155.16 47.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.512 HD21 HD13 ' A' ' 93' ' ' LEU . 19.6 tp -101.36 104.1 15.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.893 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.7 mp -91.49 124.5 44.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.166 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 99.5 t -128.04 108.6 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.172 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.8 t -95.82 136.98 25.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.891 HG22 HD22 ' A' ' 15' ' ' LEU . 61.6 t -116.74 92.04 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -57.06 -72.21 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -172.27 161.09 5.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.112 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 9.0 m -113.81 154.55 27.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.1 ptt180 -142.66 174.13 10.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.458 ' O ' ' CA ' ' A' ' 11' ' ' GLY . 91.4 m-20 52.1 49.13 21.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.929 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.411 ' O ' HD22 ' A' ' 71' ' ' LEU . 89.3 mt -108.87 89.24 2.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.405 HD12 ' C ' ' A' ' 37' ' ' ILE . 2.7 pp -46.74 154.02 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.862 ' HB2' HD21 ' A' ' 71' ' ' LEU . . . -109.88 137.97 46.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.075 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -62.29 -21.95 65.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 41' ' ' GLU . 4.0 t -158.02 122.77 4.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 42' ' ' ASP . 10.5 tp10 -35.74 -43.46 0.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 41' ' ' GLU . 38.5 m-20 -35.33 -48.79 0.48 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 148.04 137.08 2.84 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.497 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.8 p -115.48 155.89 26.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 0.0 110.819 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.14 81.12 3.59 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.613 0.721 . . . . 0.0 110.824 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 137.01 34.58 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.688 2.258 . . . . 0.0 112.385 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.585 ' CB ' HG22 ' A' ' 66' ' ' VAL . 12.1 p90 -146.75 135.49 22.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.949 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 93.6 t -88.07 141.19 14.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.127 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.421 ' HD3' ' CE1' ' A' ' 51' ' ' TYR . 9.9 ttm180 -131.41 130.2 42.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.566 ' O ' ' CD1' ' A' ' 51' ' ' TYR . 63.9 mtm -113.53 151.48 31.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.566 ' CD1' ' O ' ' A' ' 50' ' ' MET . 12.3 m-85 -158.04 126.02 5.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.906 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 23.2 tp -85.37 80.7 9.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.959 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.528 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 1.5 mm? -61.76 154.49 66.52 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.587 0.708 . . . . 0.0 110.914 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.1 Cg_endo -69.82 -51.18 0.16 OUTLIER 'Cis proline' 0 C--O 1.231 0.148 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.323 -0.075 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -40.82 141.13 0.62 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.864 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 57' ' ' ARG . 4.0 mptt -129.75 22.62 5.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 56' ' ' LYS . 13.4 mmt180 -34.36 149.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 61' ' ' ARG . 57.4 mtt180 -69.4 -56.51 7.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.7 p -46.16 -22.29 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -93.09 -26.47 16.2 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.513 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.415 ' HG3' ' CZ ' ' A' ' 51' ' ' TYR . 15.6 ttt180 -60.48 105.27 0.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.848 0.356 . . . . 0.0 110.851 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.562 ' HB3' ' CD2' ' A' ' 79' ' ' PHE . 25.2 mmt85 -118.42 109.25 16.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.841 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -117.96 168.15 10.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 51.7 p -100.36 161.02 13.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 29.7 m80 -52.43 154.51 2.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.585 HG22 ' CB ' ' A' ' 47' ' ' TYR . 58.9 t -99.11 110.13 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.105 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 35.6 m -85.76 142.71 28.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -120.93 159.45 25.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.6 mptt 57.28 44.59 21.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.6 t -168.07 137.63 2.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.117 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.862 HD21 ' HB2' ' A' ' 38' ' ' ALA . 77.4 mt -92.34 -24.59 18.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -114.64 85.67 11.66 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.65 0.738 . . . . 0.0 110.93 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.455 ' HB2' ' CZ ' ' A' ' 75' ' ' PHE . 53.7 Cg_endo -69.77 155.11 66.76 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.694 2.263 . . . . 0.0 112.375 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 90.4 t -138.09 118.91 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.179 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.455 ' CZ ' ' HB2' ' A' ' 73' ' ' PRO . 1.4 m-85 -117.06 -53.26 2.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.2 t70 60.11 33.35 21.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -94.05 160.75 14.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 41.7 t -130.64 121.79 26.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.562 ' CD2' ' HB3' ' A' ' 62' ' ' ARG . 23.3 m-85 -105.92 170.04 8.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.903 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -147.94 155.16 41.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -148.21 129.94 15.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 55.1 p -76.79 91.04 3.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.7 p -143.48 135.16 23.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.103 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.492 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 1.0 OUTLIER -75.22 149.26 38.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.832 -179.81 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.824 HD13 ' C ' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -52.81 -44.58 96.38 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.604 0.716 . . . . 0.0 110.904 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.738 ' N ' HD13 ' A' ' 85' ' ' LEU . 65.0 Cg_exo -47.92 -41.63 32.31 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.654 2.236 . . . . 0.0 112.362 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 89' ' ' GLN . 1.0 OUTLIER -80.92 -60.15 2.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.521 HG12 ' O ' ' A' ' 85' ' ' LEU . 0.7 OUTLIER -38.16 -26.67 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.104 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.762 ' NE2' HD11 ' A' ' 85' ' ' LEU . 73.0 mt-30 -62.58 -54.55 37.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -75.32 -18.14 60.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 76.8 mtt-85 -79.03 171.15 15.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.9 m -141.52 144.59 34.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.148 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.512 HD13 HD21 ' A' ' 26' ' ' LEU . 3.9 tp -95.46 95.86 8.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.62 99.97 1.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.905 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.788 HG11 HD11 ' A' ' 15' ' ' LEU . 39.3 t -108.85 101.23 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -119.61 124.53 46.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.084 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 70.5 t -108.07 102.2 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.127 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.603 ' NZ ' HD13 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -135.19 176.46 8.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.908 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.23 146.55 26.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 46.3 t -75.87 105.98 7.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 91.8 96.79 1.32 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.469 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -66.36 -99.41 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.483 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -153.29 163.92 39.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.853 0.358 . . . . 0.0 110.895 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 90.0 mt -37.85 -58.16 0.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.955 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.8 m -39.94 -71.99 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.2 mtmm -145.16 145.59 31.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.64 20.44 6.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.899 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.11 5.73 36.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -46.57 97.76 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.469 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.603 HD13 ' NZ ' ' A' ' 98' ' ' LYS . 3.8 tp -102.7 133.24 48.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.79 0.329 . . . . 0.0 110.959 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 96.2 mt -94.18 -42.52 8.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -175.64 132.18 2.08 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.443 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -134.45 154.89 51.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.815 0.34 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.448 HG13 ' O ' ' A' ' 114' ' ' VAL . 11.8 p -154.3 123.82 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.177 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -90.77 144.59 25.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 86.1 t -128.55 115.61 38.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.142 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.76 111.8 9.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.598 HD22 HG21 ' A' ' 17' ' ' ILE . 12.0 mt -84.52 26.82 0.76 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -90.99 19.45 5.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.117 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.1 m -90.03 154.2 19.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -96.96 24.56 6.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.903 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -104.91 -11.44 16.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 19.5 mt -54.27 -36.18 63.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -42.96 -29.54 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -111.69 -56.74 2.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 114.48 152.46 10.49 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 28.6 p90 -145.83 156.59 43.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.832 0.349 . . . . 0.0 110.923 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 97.3 m -129.05 132.69 47.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.116 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -164.79 157.82 16.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' TRP . . . . . . . . . . . . . 49.3 m95 -89.18 100.8 13.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -70.86 102.72 2.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.948 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -58.97 115.38 3.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 75.0 mt -64.51 143.77 57.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 79.3 p -125.82 174.38 8.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.493 ' HG3' HD11 ' A' ' 10' ' ' LEU . 56.6 mt-10 -78.63 169.75 17.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -74.26 136.73 42.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 97.2 p -116.72 148.98 40.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.832 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 110.54 73.09 0.71 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 141.41 45.14 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.667 2.245 . . . . 0.0 112.356 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.1 t -162.45 130.57 3.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.87 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 29.5 p -102.48 150.34 23.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.522 179.999 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.2 m 49.15 46.96 22.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.84 0.353 . . . . 0.0 110.825 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.0 p -95.13 -46.35 6.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.64 123.35 1.57 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 t -98.8 99.11 10.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.849 0.356 . . . . 0.0 110.89 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.1 t -128.54 127.18 41.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.08 106.81 2.53 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.46 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.9 p -170.35 116.2 0.48 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.671 0.748 . . . . 0.0 110.826 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.86 -27.57 25.85 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.68 2.253 . . . . 0.0 112.346 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.5 HD11 ' HG3' ' A' ' 135' ' ' GLU . 71.4 mt -81.65 -48.0 12.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.931 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 143.02 -178.81 21.04 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.457 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -138.16 175.08 9.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.782 0.325 . . . . 0.0 110.937 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.9 tt -155.9 131.57 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.129 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.415 ' HB2' ' CE2' ' A' ' 130' ' ' TRP . 13.4 tt0 -98.86 119.29 37.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.588 HD11 HG11 ' A' ' 95' ' ' VAL . 11.2 mt -136.61 138.61 41.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 97.0 m -104.6 105.72 15.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.507 ' CD1' HG11 ' A' ' 116' ' ' VAL . 28.1 mt -97.71 125.41 50.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.079 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 38.0 ttt180 -155.65 110.55 2.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.457 ' NE2' ' N ' ' A' ' 85' ' ' LEU . 8.4 t-80 -98.04 113.37 25.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.814 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.6 t -79.51 131.67 36.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.9 p -76.34 -30.74 57.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.835 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -73.56 -48.0 36.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.443 ' O ' ' CG ' ' A' ' 24' ' ' ASN . 13.6 mmm-85 -87.86 -12.59 44.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.443 ' CG ' ' O ' ' A' ' 23' ' ' ARG . 5.6 p-10 46.56 50.48 12.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.5 mttm -133.77 150.57 51.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.472 HD13 HG21 ' A' ' 88' ' ' VAL . 19.4 tp -105.54 107.09 17.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.3 mp -95.77 125.92 48.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.161 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.441 HG11 HD21 ' A' ' 93' ' ' LEU . 42.3 t -128.58 106.93 15.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.169 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.452 HG22 ' CB ' ' A' ' 78' ' ' SER . 49.1 t -92.8 138.01 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.097 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.515 HG22 HD22 ' A' ' 15' ' ' LEU . 82.4 t -114.68 79.72 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.119 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -44.75 -72.52 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -172.13 163.37 5.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.081 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 63.3 m -115.4 144.22 44.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.826 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.5 ptt180 -136.38 163.81 29.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 61.46 45.03 8.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 76.9 mt -101.34 94.95 6.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.942 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.642 ' O ' HD12 ' A' ' 37' ' ' ILE . 2.7 pp -53.94 136.25 15.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.589 ' HB2' ' CD2' ' A' ' 71' ' ' LEU . . . -98.98 132.27 44.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -52.61 -34.78 52.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.4 t -134.4 120.78 20.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.853 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 42' ' ' ASP . 44.2 mt-10 -37.45 -48.85 0.99 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 41' ' ' GLU . 1.3 m-20 -36.25 -46.0 0.49 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 157.58 164.23 13.57 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.471 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.433 ' HB3' ' HB1' ' A' ' 38' ' ' ALA . 59.0 p -146.0 159.36 43.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.863 0.363 . . . . 0.0 110.838 -179.726 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.471 ' HB2' ' CG1' ' A' ' 66' ' ' VAL . 17.7 p30 -113.14 82.63 5.66 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.626 0.727 . . . . 0.0 110.867 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 149.53 66.72 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.707 2.272 . . . . 0.0 112.344 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.446 ' HB3' HG22 ' A' ' 66' ' ' VAL . 6.2 p90 -161.1 143.15 12.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.866 HG22 HG22 ' A' ' 97' ' ' VAL . 65.8 t -102.01 147.68 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.123 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -133.8 136.0 44.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.862 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.447 ' HE1' ' CD1' ' A' ' 79' ' ' PHE . 50.7 mtm -114.42 143.86 44.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.508 ' CZ ' ' HG3' ' A' ' 61' ' ' ARG . 11.7 m-85 -151.04 114.18 4.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.415 ' O ' ' O ' ' A' ' 55' ' ' ASP . 15.1 tp -70.35 79.54 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.534 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 79.0 mt -57.89 155.54 22.82 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.584 0.707 . . . . 0.0 110.906 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.7 Cg_endo -69.77 -51.62 0.16 OUTLIER 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.65 -1.813 . . . . 0.0 112.38 -0.152 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.415 ' O ' ' O ' ' A' ' 52' ' ' LEU . 5.1 m-20 -47.81 142.82 4.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.903 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.467 ' N ' ' HD3' ' A' ' 56' ' ' LYS . 2.0 mppt? -116.69 23.42 12.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -38.52 157.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.887 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 61' ' ' ARG . 38.8 mtt85 -60.23 -53.22 60.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 58' ' ' ARG . 58.7 m -37.33 -55.51 1.02 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.814 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.63 -23.92 77.42 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.511 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.508 ' HG3' ' CZ ' ' A' ' 51' ' ' TYR . 15.1 ttt180 -71.34 105.88 3.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.825 0.345 . . . . 0.0 110.861 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.572 ' HB3' ' CD2' ' A' ' 79' ' ' PHE . 15.1 mmt85 -136.58 118.33 15.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.04 164.08 14.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 77.8 p -103.79 166.44 10.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.148 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 60.5 t60 -51.95 158.14 1.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.471 ' CG1' ' HB2' ' A' ' 45' ' ' ASP . 70.8 t -106.51 102.28 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.419 ' HB3' HG21 ' A' ' 70' ' ' THR . 3.1 m -68.35 142.74 55.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.9 mmtt -119.32 144.84 46.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm 57.99 46.33 16.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.419 HG21 ' HB3' ' A' ' 67' ' ' SER . 13.8 t -161.65 153.39 19.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.589 ' CD2' ' HB2' ' A' ' 38' ' ' ALA . 94.0 mt -104.95 -27.8 11.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -113.81 89.35 15.93 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.636 0.732 . . . . 0.0 110.908 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.449 ' HB2' ' CZ ' ' A' ' 75' ' ' PHE . 53.4 Cg_endo -69.75 149.93 67.6 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.706 2.27 . . . . 0.0 112.335 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 46.2 t -131.33 113.19 22.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.186 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.449 ' CZ ' ' HB2' ' A' ' 73' ' ' PRO . 11.3 m-85 -110.98 -56.53 2.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.5 t70 63.72 36.76 10.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -100.76 160.33 14.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.452 ' CB ' HG22 ' A' ' 29' ' ' VAL . 29.4 t -130.74 117.19 19.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.572 ' CD2' ' HB3' ' A' ' 62' ' ' ARG . 32.4 m-85 -100.06 161.19 13.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -141.32 153.31 45.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -146.47 132.73 19.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 63.8 p -77.27 91.43 3.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.88 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.5 p -143.51 132.48 19.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.126 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.48 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 1.1 m -74.7 147.72 41.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.846 HD13 ' C ' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -52.97 -44.37 96.7 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.655 0.741 . . . . 0.0 110.967 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.724 ' N ' HD13 ' A' ' 85' ' ' LEU . 65.5 Cg_exo -48.06 -37.58 30.48 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.656 2.237 . . . . 0.0 112.355 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 89' ' ' GLN . 5.2 mm-40 -85.62 -59.64 2.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.915 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.489 HG12 ' O ' ' A' ' 85' ' ' LEU . 0.9 OUTLIER -38.26 -26.46 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.781 ' NE2' HD11 ' A' ' 85' ' ' LEU . 70.6 mt-30 -61.51 -48.39 81.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 76.0 mtt180 -78.83 -22.38 46.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 67.2 mtt-85 -78.32 171.66 14.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.6 m -145.59 136.95 25.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.195 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.441 HD21 HG11 ' A' ' 28' ' ' VAL . 3.0 tp -82.9 100.25 10.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.508 ' HA ' HD13 ' A' ' 115' ' ' LEU . 13.1 t70 -76.06 100.44 4.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.588 HG11 HD11 ' A' ' 15' ' ' LEU . 11.7 t -108.79 108.96 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -127.9 126.47 41.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.103 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.866 HG22 HG22 ' A' ' 48' ' ' VAL . 90.7 t -104.06 104.51 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.14 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 35.7 mttt -122.22 176.04 6.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.689 ' HB3' HD11 ' A' ' 111' ' ' LEU . 0.4 OUTLIER -106.8 139.81 40.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 42.7 t -70.49 99.72 1.66 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -160.48 41.55 0.44 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -76.15 149.34 37.37 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.513 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.689 ' HB3' HD23 ' A' ' 104' ' ' LEU . 10.5 t80 -88.65 -51.3 5.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.885 0.374 . . . . 0.0 110.906 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.689 HD23 ' HB3' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -101.94 -75.07 0.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.935 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 71.6 m -112.64 -47.17 3.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.92 168.98 18.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.857 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -94.99 152.26 18.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 48.6 mttp -103.45 17.85 23.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -109.71 91.33 0.63 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.469 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.8 tp -81.12 121.88 26.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.861 0.362 . . . . 0.0 110.928 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.689 HD11 ' HB3' ' A' ' 99' ' ' ASN . 76.9 mt -85.37 -34.48 21.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.451 ' C ' HD22 ' A' ' 133' ' ' LEU . . . 175.79 150.92 8.32 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.442 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.433 ' N ' HD22 ' A' ' 133' ' ' LEU . 4.7 ptmm? -156.71 150.23 24.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.348 . . . . 0.0 110.902 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.453 HG13 ' O ' ' A' ' 114' ' ' VAL . 14.8 p -154.67 125.41 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.165 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.508 HD13 ' HA ' ' A' ' 94' ' ' ASP . 1.1 mm? -88.53 155.6 19.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.953 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.507 HG11 ' CD1' ' A' ' 17' ' ' ILE . 75.6 t -134.13 108.65 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.57 109.96 3.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 6.7 mt -85.39 26.27 0.93 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -87.55 27.89 1.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.081 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 56.5 m -93.17 160.42 14.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -101.47 -17.02 16.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -91.76 41.65 1.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.401 HD23 ' CZ3' ' A' ' 127' ' ' TRP . 11.6 mt -83.15 -51.82 7.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -40.61 -41.51 1.5 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 32.9 mtpt -72.07 -45.49 60.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 91.64 153.13 29.33 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.472 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' TRP . . . . . 0.401 ' CZ3' HD23 ' A' ' 123' ' ' LEU . 15.2 p90 -147.87 159.73 43.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.885 0.374 . . . . 0.0 110.895 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 88.5 m -133.87 130.01 37.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.152 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -165.17 163.56 20.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' TRP . . . . . 0.415 ' CE2' ' HB2' ' A' ' 14' ' ' GLN . 85.1 m95 -93.8 124.24 37.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.947 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -95.25 101.2 12.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.96 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.411 ' O ' ' CG ' ' A' ' 132' ' ' ASP . 0.7 OUTLIER -56.91 115.28 2.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.451 HD22 ' C ' ' A' ' 112' ' ' GLY . 55.5 mt -63.62 143.24 57.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 76.6 p -131.48 158.55 40.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.5 ' HG3' HD11 ' A' ' 10' ' ' LEU . 39.4 mt-10 -71.31 154.42 41.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -59.48 140.67 56.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 50.2 m -116.94 124.46 49.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 165.02 74.61 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.511 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 92.91 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.691 2.261 . . . . 0.0 112.375 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 52.4 m 48.41 43.03 19.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.819 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 2.8 m -161.23 126.46 3.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.485 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.3 m -110.7 96.27 6.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.832 0.348 . . . . 0.0 110.846 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.0 p -36.79 149.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.815 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.81 120.71 5.33 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.496 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 t -90.68 133.23 35.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 0.0 110.843 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -78.88 113.41 16.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.868 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.92 52.28 0.4 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.542 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.3 p -166.02 122.91 1.02 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.644 0.735 . . . . 0.0 110.891 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -29.12 24.66 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.682 2.254 . . . . 0.0 112.377 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.8 mt -76.36 -52.7 9.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 148.59 -174.96 28.09 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.512 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -136.19 175.01 9.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.783 0.325 . . . . 0.0 110.919 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.664 HD11 HD21 ' A' ' 15' ' ' LEU . 15.1 tt -161.54 134.93 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.173 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.524 ' HB2' ' CZ2' ' A' ' 130' ' ' TRP . 23.4 tt0 -99.46 119.79 38.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.664 HD21 HD11 ' A' ' 13' ' ' ILE . 13.0 mt -137.03 138.75 40.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.951 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 90.4 m -103.93 109.1 20.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.513 HD12 HG11 ' A' ' 116' ' ' VAL . 78.9 mt -100.76 118.2 47.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.125 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 38.1 ttp180 -147.82 115.82 6.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.2 t-80 -97.97 107.01 19.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.802 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.4 m -74.6 120.94 20.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.844 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 25.0 p -68.12 -54.69 16.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.858 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -51.56 -44.09 62.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.7 mmm180 -83.26 -20.23 34.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.7 m120 55.07 45.9 25.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.0 mttm -137.49 158.48 44.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 39.0 tp -106.32 108.53 20.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.5 mp -96.98 133.07 39.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 92.2 t -139.82 109.8 3.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.461 HG22 ' HB2' ' A' ' 78' ' ' SER . 57.3 t -91.41 142.55 12.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.149 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.579 HG22 HD22 ' A' ' 15' ' ' LEU . 57.7 t -121.72 94.57 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.161 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -61.13 -73.54 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -171.81 163.56 6.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.575 ' SG ' HD12 ' A' ' 13' ' ' ILE . 63.1 m -112.88 147.2 37.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -139.43 165.07 28.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 62.22 39.25 12.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 48.2 mt -96.0 106.88 19.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.556 ' O ' HD12 ' A' ' 37' ' ' ILE . 2.5 pp -61.6 139.65 20.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.652 ' HB2' HD21 ' A' ' 71' ' ' LEU . . . -99.01 113.6 25.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.127 179.781 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -41.17 -36.35 0.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 41' ' ' GLU . 34.9 t -135.22 116.9 14.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 40' ' ' SER . 12.8 mt-10 -35.55 -45.58 0.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -38.9 -48.54 1.58 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 153.76 139.86 2.94 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.522 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 79.0 p -120.75 159.77 24.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.868 0.366 . . . . 0.0 110.858 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.23 81.72 1.38 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.604 0.716 . . . . 0.0 110.862 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 138.59 38.27 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.709 2.272 . . . . 0.0 112.329 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.467 ' CE1' ' HA ' ' A' ' 100' ' ' SER . 3.6 p90 -156.05 136.32 13.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.899 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.648 HG22 HG22 ' A' ' 97' ' ' VAL . 78.9 t -88.77 149.71 3.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.132 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.0 ttt180 -137.01 134.76 36.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.431 ' HE1' ' CD1' ' A' ' 79' ' ' PHE . 66.2 mtm -119.43 137.96 53.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.863 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -148.5 113.65 5.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.43 HD21 HH11 ' A' ' 91' ' ' ARG . 22.1 tp -71.49 88.76 0.92 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.958 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.613 HD21 ' HE2' ' A' ' 56' ' ' LYS . 88.2 mt -62.64 152.06 82.35 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.611 0.719 . . . . 0.0 110.903 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.6 Cg_endo -69.75 -41.54 0.89 Allowed 'Cis proline' 0 C--N 1.341 0.161 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.336 -0.135 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -45.42 98.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.613 ' HE2' HD21 ' A' ' 53' ' ' LEU . 8.7 ptpt -128.28 19.56 6.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.884 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -72.12 -177.22 2.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 59' ' ' SER . 27.0 mtm180 -62.39 -47.9 82.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 58' ' ' ARG . 12.9 t -34.97 -55.35 0.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -98.29 45.61 1.64 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.47 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.8 ttp180 -81.62 113.29 19.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.801 0.334 . . . . 0.0 110.857 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.522 ' HG3' ' CD2' ' A' ' 79' ' ' PHE . 8.2 tpp180 -135.48 111.83 9.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.6 pttp -148.97 168.11 23.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 38.4 p -96.91 158.38 15.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -56.15 158.37 4.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.1 p -105.47 119.32 54.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.122 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.5 t -90.67 151.3 21.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.827 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -117.54 159.35 23.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? 48.48 50.81 16.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.498 ' O ' HG23 ' A' ' 70' ' ' THR . 9.4 t -165.98 117.89 1.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.127 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.652 HD21 ' HB2' ' A' ' 38' ' ' ALA . 69.4 mt -74.51 -38.03 62.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -106.43 87.19 2.51 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.598 0.713 . . . . 0.0 110.903 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 156.31 63.75 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.687 2.258 . . . . 0.0 112.308 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 89.0 t -136.49 125.78 37.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.138 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -120.5 -53.48 2.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 59.7 39.96 20.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -113.87 156.3 24.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.965 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.461 ' HB2' HG22 ' A' ' 29' ' ' VAL . 40.1 t -126.75 137.93 53.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.522 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 7.1 m-85 -115.16 167.24 11.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.842 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -145.16 149.13 34.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.844 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -143.11 129.88 20.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 54.9 p -73.04 91.61 1.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.5 p -143.49 132.93 20.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.121 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.486 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 1.0 OUTLIER -76.4 148.3 37.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 -179.843 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.84 HD13 ' C ' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -52.15 -44.68 93.23 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.602 0.715 . . . . 0.0 110.91 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.733 ' N ' HD13 ' A' ' 85' ' ' LEU . 65.5 Cg_exo -47.98 -42.07 32.25 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.723 2.282 . . . . 0.0 112.303 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 89' ' ' GLN . 0.7 OUTLIER -82.41 -62.26 1.67 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.404 HG12 ' O ' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -38.48 -26.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.814 ' NE2' HD11 ' A' ' 85' ' ' LEU . 60.6 mt-30 -58.21 -56.26 24.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.2 ptt180 -76.75 -4.2 42.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.43 HH11 HD21 ' A' ' 52' ' ' LEU . 32.0 mtt180 -91.77 169.38 10.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 76.7 m -142.01 142.49 32.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.119 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.4 tp -86.09 101.88 13.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -70.9 100.82 2.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.4 HG11 HD11 ' A' ' 15' ' ' LEU . 29.7 t -111.75 100.0 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -120.74 116.53 25.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.648 HG22 HG22 ' A' ' 48' ' ' VAL . 45.4 t -103.23 106.68 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.446 ' HA ' HD12 ' A' ' 111' ' ' LEU . 0.0 OUTLIER -144.08 -179.5 6.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -77.07 141.54 40.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.467 ' HA ' ' CE1' ' A' ' 47' ' ' TYR . 2.2 t -61.5 105.9 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.861 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -172.03 -141.89 3.55 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.495 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 75.91 103.25 0.12 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.478 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -104.36 -49.79 3.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.887 0.375 . . . . 0.0 110.873 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.75 -59.79 2.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.95 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.0 m -87.18 -174.29 4.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.833 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -77.93 -18.34 56.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.908 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -167.84 122.03 0.96 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 7.0 mmtm -102.49 6.39 40.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -156.99 53.84 0.4 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.492 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.455 ' CD2' ' HB2' ' A' ' 136' ' ' ASP . 18.6 tp -62.75 113.63 3.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.849 0.357 . . . . 0.0 110.952 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 98' ' ' LYS . 22.1 mt -85.7 -33.46 21.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.422 ' C ' HD22 ' A' ' 133' ' ' LEU . . . 176.08 136.57 2.38 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.516 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.21 152.53 49.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.816 0.341 . . . . 0.0 110.944 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' ' 114' ' ' VAL . 11.8 p -152.29 125.37 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.106 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.415 ' N ' ' CD2' ' A' ' 115' ' ' LEU . 1.3 mm? -94.35 152.23 18.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.513 HG11 HD12 ' A' ' 17' ' ' ILE . 86.1 t -131.83 117.43 34.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -74.5 110.28 8.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.103 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 8.5 mt -86.34 28.76 0.81 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.922 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -93.48 27.78 2.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.077 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.5 t -97.62 -176.73 3.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -118.34 -11.56 10.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.558 ' HG3' ' CZ3' ' A' ' 127' ' ' TRP . 10.5 pt-20 -85.87 26.56 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 124' ' ' ALA . 15.5 mt -84.47 -53.23 5.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 123' ' ' LEU . . . -36.55 -41.69 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.085 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.1 -48.27 10.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 101.5 153.23 25.76 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.53 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' TRP . . . . . 0.558 ' CZ3' ' HG3' ' A' ' 122' ' ' GLU . 19.1 p90 -145.47 165.42 28.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.861 0.363 . . . . 0.0 110.933 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 62.0 m -135.33 128.53 31.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -160.51 155.32 24.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' TRP . . . . . 0.524 ' CZ2' ' HB2' ' A' ' 14' ' ' GLN . 72.6 m95 -87.16 110.24 20.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -82.62 105.65 13.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -62.93 118.22 7.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.422 HD22 ' C ' ' A' ' 112' ' ' GLY . 62.4 mt -61.6 143.05 56.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 74.9 p -132.36 144.04 50.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.134 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.06 166.55 13.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' ASP . . . . . 0.455 ' HB2' ' CD2' ' A' ' 110' ' ' LEU . 33.1 t0 -78.94 82.92 5.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 35.5 p -55.66 -47.06 77.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 109.1 144.68 10.81 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.424 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -22.1 32.61 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.698 2.265 . . . . 0.0 112.317 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 9.6 t -134.64 147.14 50.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.851 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 32.4 t -90.69 122.62 33.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.462 179.96 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.0 t -133.57 105.89 7.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.838 0.351 . . . . 0.0 110.881 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.4 m -95.91 84.24 3.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.66 -138.1 6.8 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.522 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.1 p -60.38 92.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.902 0.382 . . . . 0.0 110.898 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.3 p -117.69 144.19 45.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.82 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.31 -147.59 5.15 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.473 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.421 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . 1.2 t -167.89 105.0 0.57 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.701 0.762 . . . . 0.0 110.917 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 8' ' ' SER . 53.4 Cg_endo -69.75 -22.22 32.41 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.694 2.262 . . . . 0.0 112.277 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.485 HD22 ' O ' ' A' ' 111' ' ' LEU . 57.2 mt -85.86 -48.63 8.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.96 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 153.35 -166.92 31.8 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.553 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -147.62 174.31 11.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.767 0.318 . . . . 0.0 110.941 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.4 tt -163.95 132.77 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.49 ' HB2' ' CE2' ' A' ' 130' ' ' TRP . 31.5 tt0 -99.55 115.37 29.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.583 ' CD1' HG11 ' A' ' 95' ' ' VAL . 3.1 mt -133.88 135.57 43.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 88.6 m -98.31 110.77 23.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.633 HD12 HG11 ' A' ' 116' ' ' VAL . 21.2 mt -101.53 123.06 54.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.32 137.86 15.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.845 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.423 ' CE1' ' HA ' ' A' ' 24' ' ' ASN . 5.3 t-80 -125.77 114.19 18.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 24' ' ' ASN . 9.1 t -77.9 126.25 30.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 93.6 p -67.35 -39.7 85.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.843 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 -68.96 -47.43 65.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.449 ' O ' ' CG ' ' A' ' 24' ' ' ASN . 5.4 mmt180 -83.39 -16.25 46.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.48 ' N ' ' O ' ' A' ' 20' ' ' SER . 3.1 p-10 46.25 52.91 10.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.937 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.2 mttt -135.48 148.55 49.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.631 HD21 HD13 ' A' ' 93' ' ' LEU . 13.8 tp -102.67 111.05 23.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.925 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.9 mp -99.45 136.11 31.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 45.9 t -140.16 112.05 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.149 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.9 t -95.69 150.79 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.129 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.516 HG13 ' CD2' ' A' ' 15' ' ' LEU . 3.3 t -132.63 83.86 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -51.13 -74.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.442 ' HB2' HG13 ' A' ' 74' ' ' VAL . . . -173.33 158.39 3.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.103 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 58.6 m -105.74 166.15 10.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 33.9 ptt180 -152.95 164.61 37.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 51.66 54.13 11.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 82.8 mt -107.56 98.83 8.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.501 ' O ' HD12 ' A' ' 37' ' ' ILE . 2.5 pp -55.83 143.65 8.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -108.22 139.0 43.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -53.25 -25.85 15.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 41' ' ' GLU . 43.6 t -148.18 119.84 8.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 42' ' ' ASP . 48.8 tp10 -35.36 -46.24 0.36 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.901 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 41' ' ' GLU . 65.2 m-20 -34.46 -47.23 0.3 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 145.68 155.79 6.62 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.483 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.3 m -140.25 172.02 13.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.882 0.372 . . . . 0.0 110.858 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.407 ' HB3' HG12 ' A' ' 66' ' ' VAL . 0.8 OUTLIER -116.97 83.26 14.45 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.611 0.719 . . . . 0.0 110.864 179.895 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 141.48 45.14 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.667 2.245 . . . . 0.0 112.331 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.501 ' CB ' HG22 ' A' ' 66' ' ' VAL . 4.5 p90 -152.11 140.26 20.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.663 HG22 HG22 ' A' ' 97' ' ' VAL . 72.2 t -90.1 150.56 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.151 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -132.36 148.05 52.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 58.2 mtm -137.37 120.93 17.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -136.66 111.98 9.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 49.0 tp -67.44 93.9 0.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.538 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 48.3 mt -70.22 154.31 94.63 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.605 0.716 . . . . 0.0 110.94 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.9 Cg_endo -69.74 -45.23 0.43 Allowed 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.752 -1.77 . . . . 0.0 112.335 -0.088 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -42.74 91.02 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 54' ' ' PRO . 20.9 pttt -121.33 20.8 11.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 50.2 mtt-85 -47.78 165.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.5 ptt180 -90.62 33.65 0.91 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 51.7 m -101.88 -61.34 1.4 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -93.9 37.54 3.38 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.499 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 26.1 ttp180 -56.57 136.14 54.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.788 0.327 . . . . 0.0 110.904 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.5 tpp180 -137.0 108.93 7.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -141.28 170.93 14.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 45.1 p -98.28 168.03 10.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -54.13 163.06 0.86 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.576 HG11 ' HB3' ' A' ' 100' ' ' SER . 91.7 t -105.66 102.74 14.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.2 m -71.49 141.6 50.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 52.9 mttt -121.52 159.87 25.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp 51.01 52.11 15.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.6 t -173.32 141.47 0.92 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.16 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 26.3 mt -97.79 -13.17 21.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -124.76 83.04 59.51 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.631 0.729 . . . . 0.0 110.868 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 147.67 63.11 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.627 2.218 . . . . 0.0 112.35 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.442 HG13 ' HB2' ' A' ' 32' ' ' ALA . 45.9 t -132.47 114.6 23.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -107.87 -46.64 3.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.6 t70 55.65 29.94 14.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -103.71 151.75 22.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 38.6 t -124.07 138.96 54.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.439 ' CD1' ' N ' ' A' ' 79' ' ' PHE . 3.6 m-85 -117.2 171.53 7.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -149.9 149.05 29.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -140.54 124.69 17.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 70.9 p -71.82 92.33 1.22 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.856 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.4 p -143.38 134.53 22.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.17 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.483 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 1.0 OUTLIER -74.13 148.68 41.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 -179.838 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.616 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 3.0 tp -53.77 -44.11 97.43 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.616 0.722 . . . . 0.0 110.912 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 65.4 Cg_exo -48.07 -35.19 25.23 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.66 2.24 . . . . 0.0 112.366 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -88.92 -58.04 2.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.597 HG22 HD12 ' A' ' 118' ' ' LEU . 1.3 p -45.99 -30.43 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.423 ' OE1' ' HA ' ' A' ' 86' ' ' PRO . 73.0 mt-30 -59.32 -60.68 3.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 -69.72 -3.35 14.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 88.6 mtt-85 -97.11 -179.23 4.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 77.7 m -150.34 136.61 18.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.13 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.631 HD13 HD21 ' A' ' 26' ' ' LEU . 4.4 tp -84.47 104.96 14.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.857 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.403 ' HB2' ' CD1' ' A' ' 53' ' ' LEU . 12.3 t0 -75.34 97.02 3.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.583 HG11 ' CD1' ' A' ' 15' ' ' LEU . 17.3 t -106.67 102.73 14.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.137 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -128.71 133.24 48.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.096 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.663 HG22 HG22 ' A' ' 48' ' ' VAL . 78.9 t -104.75 101.55 12.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.116 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -106.45 -177.37 3.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.539 ' CB ' HD11 ' A' ' 111' ' ' LEU . 2.1 t30 -121.1 117.04 26.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.576 ' HB3' HG11 ' A' ' 66' ' ' VAL . 48.4 t -68.77 134.41 49.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.83 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -88.14 128.15 8.92 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.437 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -49.7 -99.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -91.57 24.52 3.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.855 0.36 . . . . 0.0 110.902 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -103.05 176.99 4.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 106' ' ' LYS . 61.9 p -109.02 172.99 6.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 105' ' ' SER . 10.8 ptmt -34.66 146.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.905 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -151.96 134.24 15.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.814 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 13.0 mtpp -84.07 21.69 1.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -79.48 63.24 3.99 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.51 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.1 tp -60.36 147.25 41.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.855 0.359 . . . . 0.0 110.927 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.539 HD11 ' CB ' ' A' ' 99' ' ' ASN . 14.8 mt -108.16 -45.53 3.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.678 ' C ' HD22 ' A' ' 133' ' ' LEU . . . -166.38 144.57 9.24 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.504 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.65 ' N ' HD22 ' A' ' 133' ' ' LEU . 4.9 ptmm? -150.6 154.67 37.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.785 0.326 . . . . 0.0 110.931 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.49 HG11 ' HB3' ' A' ' 131' ' ' TYR . 11.3 p -157.06 124.61 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.122 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.656 HD22 ' N ' ' A' ' 115' ' ' LEU . 1.5 mm? -91.63 156.94 17.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.633 HG11 HD12 ' A' ' 17' ' ' ILE . 81.3 t -139.14 123.78 20.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -78.0 110.96 13.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.597 HD12 HG22 ' A' ' 88' ' ' VAL . 4.9 mt -84.23 20.09 1.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -87.44 23.44 1.9 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.088 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.2 m -97.51 147.76 23.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -85.96 -14.24 45.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -70.17 -5.77 29.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 11.5 mt -55.76 -36.73 67.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.945 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -47.68 -38.25 14.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.101 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -94.35 -59.86 1.86 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 113.32 148.14 10.08 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 26.8 p90 -136.85 157.29 47.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.814 0.34 . . . . 0.0 110.937 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 85.6 m -132.65 126.97 33.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.123 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.423 ' HG2' ' CE1' ' A' ' 131' ' ' TYR . 16.8 pt20 -158.92 158.92 34.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' TRP . . . . . 0.49 ' CE2' ' HB2' ' A' ' 14' ' ' GLN . 72.1 m95 -86.85 99.57 11.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.521 ' HD2' HD12 ' A' ' 15' ' ' LEU . 21.1 m-85 -67.45 102.11 1.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.46 ' N ' ' OD1' ' A' ' 132' ' ' ASP . 0.2 OUTLIER -63.18 114.01 3.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 179.905 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.678 HD22 ' C ' ' A' ' 112' ' ' GLY . 77.2 mt -61.89 143.08 56.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 77.1 p -127.05 173.28 9.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -79.02 161.78 26.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 10.4 p30 -82.66 84.73 7.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 55.3 m -50.25 -51.9 40.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 137.53 86.98 0.18 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.511 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -24.95 28.91 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.686 2.258 . . . . 0.0 112.308 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 7.6 t -134.23 117.17 16.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.912 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 4.7 t -66.43 152.7 44.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.817 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.507 179.982 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.446 -0.261 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 p -126.1 24.35 6.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 0.0 110.827 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.1 m -153.22 122.54 6.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.15 141.56 3.37 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.472 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m 49.3 38.53 13.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.869 0.366 . . . . 0.0 110.892 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 t -88.7 155.29 19.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.86 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.53 58.83 0.24 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.484 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.8 t -124.05 117.82 26.96 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.661 0.743 . . . . 0.0 110.886 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -26.88 26.98 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.652 2.235 . . . . 0.0 112.353 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.702 HD11 ' HG3' ' A' ' 135' ' ' GLU . 89.6 mt -80.09 -51.88 8.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 152.3 -173.92 31.33 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.485 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -141.92 178.58 7.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.811 0.339 . . . . 0.0 110.895 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.6 tt -166.77 134.25 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.568 ' HB2' ' CZ2' ' A' ' 130' ' ' TRP . 22.2 tt0 -99.47 114.69 27.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.775 HD11 HG11 ' A' ' 95' ' ' VAL . 40.5 mt -131.16 127.84 38.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.0 m -97.12 102.86 14.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.488 ' CD1' HG11 ' A' ' 116' ' ' VAL . 80.5 mt -96.55 125.11 49.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.13 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -155.66 116.05 3.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 -97.62 106.29 18.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 24' ' ' ASN . 2.3 m -69.06 125.58 27.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 71.7 p -66.85 -55.05 16.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -55.47 -43.81 75.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.459 ' O ' ' CG ' ' A' ' 24' ' ' ASN . 32.8 mmt180 -84.96 -17.72 36.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 20' ' ' SER . 5.3 p-10 46.67 43.89 13.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.8 mttt -126.33 156.73 39.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.664 HD13 HG21 ' A' ' 88' ' ' VAL . 19.6 tp -101.34 102.67 13.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.921 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.422 HD12 ' N ' ' A' ' 27' ' ' ILE . 4.8 mp -92.53 130.09 42.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.42 HG11 ' SD ' ' A' ' 50' ' ' MET . 40.6 t -136.73 106.15 4.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.9 t -94.04 138.16 21.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 19.2 t -117.26 96.61 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.519 ' O ' HG23 ' A' ' 74' ' ' VAL . 93.4 m-70 -63.08 -74.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.565 ' HB1' ' O ' ' A' ' 73' ' ' PRO . . . -172.03 162.16 5.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.083 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 32.7 m -106.4 167.96 9.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 23.6 ptt180 -155.59 148.0 23.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 60.73 53.39 3.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.464 ' O ' ' C ' ' A' ' 37' ' ' ILE . 55.5 mt -99.41 88.02 3.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.63 HD11 HD22 ' A' ' 111' ' ' LEU . 2.7 pp -32.67 141.86 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 39' ' ' PHE . . . -114.78 113.64 24.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.08 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' A' ' 38' ' ' ALA . 3.4 t80 -38.27 -36.02 0.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 41.1 t -139.21 122.16 16.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -42.4 -28.73 0.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -52.86 -43.12 65.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 146.34 131.09 2.2 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.534 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.1 m -110.14 175.12 5.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.902 0.382 . . . . 0.0 110.849 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -114.4 78.33 4.69 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.572 0.701 . . . . 0.0 110.885 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.422 ' O ' HG23 ' A' ' 66' ' ' VAL . 53.9 Cg_endo -69.73 134.16 27.37 Favored 'Trans proline' 0 C--O 1.23 0.123 0 C-N-CA 122.679 2.253 . . . . 0.0 112.367 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.419 ' CB ' ' HB ' ' A' ' 66' ' ' VAL . 2.2 p90 -160.89 136.36 7.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.56 HG22 HG22 ' A' ' 97' ' ' VAL . 29.9 t -87.96 159.56 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.161 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.507 ' N ' HG12 ' A' ' 48' ' ' VAL . 11.4 ttm180 -145.16 130.11 18.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.42 ' SD ' HG11 ' A' ' 28' ' ' VAL . 64.2 mtm -113.89 142.48 46.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.534 ' CZ ' ' HG3' ' A' ' 61' ' ' ARG . 9.4 m-85 -151.18 127.61 10.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 52' ' ' LEU . 13.2 tp -84.02 89.11 7.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.528 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 4.1 mm? -66.92 156.05 88.42 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.602 0.715 . . . . 0.0 110.947 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.5 Cg_endo -69.8 -47.56 0.31 Allowed 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.674 -1.802 . . . . 0.0 112.322 -0.099 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 54' ' ' PRO . 6.7 m-20 -36.69 121.61 0.76 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.83 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.4 mtpp -118.59 29.05 7.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.921 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 16.1 mmp_? -45.92 136.39 6.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.406 ' C ' ' HD2' ' A' ' 58' ' ' ARG . 6.5 ppt_? -93.2 -18.73 22.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.8 p -70.51 -18.28 62.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -127.59 23.4 5.39 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.501 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.534 ' HG3' ' CZ ' ' A' ' 51' ' ' TYR . 0.8 OUTLIER -71.67 150.84 44.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.842 0.354 . . . . 0.0 110.844 -179.848 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -137.62 109.77 7.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.1 pttp -126.94 171.26 11.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 67.1 p -97.33 163.98 12.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.413 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 80.9 m-70 -62.08 158.35 16.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 46' ' ' PRO . 2.3 p -111.28 116.4 52.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.075 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.1 m -98.43 115.46 28.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -85.77 157.33 20.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 42.7 mmtt 61.24 54.89 3.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.0 t -175.07 144.15 0.73 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.2 mp -104.55 -23.07 13.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.931 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -118.13 67.65 6.6 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.647 0.737 . . . . 0.0 110.936 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.565 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 54.1 Cg_endo -69.76 164.99 32.47 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.663 2.242 . . . . 0.0 112.34 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.538 HG23 ' HB2' ' A' ' 32' ' ' ALA . 4.8 p -149.25 136.12 12.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.413 ' CE1' ' O ' ' A' ' 65' ' ' HIS . 1.9 m-85 -123.58 -34.37 3.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.4 t70 50.39 38.17 17.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -105.6 148.91 26.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 27.5 t -124.53 133.69 53.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.443 ' CD1' ' N ' ' A' ' 79' ' ' PHE . 3.6 m-85 -115.85 169.34 9.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -153.57 148.01 26.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -139.31 131.68 28.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 51.5 p -73.44 92.37 1.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 6.7 p -143.44 135.02 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.123 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.479 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 0.9 OUTLIER -75.36 149.66 38.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 -179.804 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.605 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 4.6 tp -52.81 -44.72 96.74 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.631 0.729 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 64.1 Cg_exo -47.96 -41.0 33.31 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.705 2.27 . . . . 0.0 112.323 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -82.37 -57.82 3.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.664 HG21 HD13 ' A' ' 26' ' ' LEU . 0.9 OUTLIER -48.86 -30.15 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.117 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.408 ' OE1' ' HA ' ' A' ' 86' ' ' PRO . 59.6 mt-30 -55.98 -55.62 30.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 18.0 ptt180 -72.59 -22.81 60.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 49.0 mtt180 -74.9 173.31 10.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.404 HG23 ' O ' ' A' ' 116' ' ' VAL . 25.2 m -143.14 142.08 31.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.616 HD13 HD21 ' A' ' 26' ' ' LEU . 3.0 tp -87.65 101.31 13.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.923 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.48 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -75.62 97.6 3.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.824 179.879 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.775 HG11 HD11 ' A' ' 15' ' ' LEU . 16.4 t -107.65 100.95 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -121.96 131.79 54.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.079 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.56 HG22 HG22 ' A' ' 48' ' ' VAL . 86.3 t -113.96 101.52 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 8.0 pttp -130.67 -177.81 4.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -86.13 124.92 33.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.6 t -49.56 -38.33 30.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 167.8 -162.44 36.22 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.473 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -178.27 -59.42 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.442 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.454 ' CG ' ' N ' ' A' ' 104' ' ' LEU . 47.8 t80 -77.03 168.53 19.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.86 0.362 . . . . 0.0 110.895 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.454 ' N ' ' CG ' ' A' ' 103' ' ' PHE . 81.7 mt -49.86 -57.44 7.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 65.8 m -79.4 163.82 24.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 25.6 mmmt -62.43 172.17 1.65 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -156.6 150.8 25.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 20.6 mmtp -108.08 16.83 23.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -52.78 91.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.448 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 11.1 tp -86.44 121.43 28.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 0.0 110.938 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.63 HD22 HD11 ' A' ' 37' ' ' ILE . 24.7 mt -83.57 -56.06 3.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -160.5 154.28 25.28 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.473 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -155.95 159.38 39.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.834 0.35 . . . . 0.0 110.839 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.557 HG11 ' HB3' ' A' ' 131' ' ' TYR . 11.1 p -150.66 137.85 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -101.2 148.19 25.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.488 HG11 ' CD1' ' A' ' 17' ' ' ILE . 53.3 t -133.09 123.28 47.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -80.91 111.36 17.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 25.1 mt -84.73 20.05 1.88 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -89.64 22.96 2.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.084 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 30.5 t -101.48 147.79 25.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -80.6 -31.75 36.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.865 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -46.07 -22.61 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 18.0 mt -45.08 -45.6 11.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -40.66 -34.95 0.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -103.03 -46.82 4.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 102.43 157.77 25.88 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.48 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 29.0 p90 -146.02 154.66 42.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.846 0.355 . . . . 0.0 110.932 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 87.6 m -125.22 128.51 48.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.127 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -161.95 155.9 21.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' TRP . . . . . 0.568 ' CZ2' ' HB2' ' A' ' 14' ' ' GLN . 86.8 m95 -88.88 107.09 18.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.952 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.557 ' HB3' HG11 ' A' ' 114' ' ' VAL . 28.5 m-85 -76.96 105.11 7.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.909 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.421 ' O ' ' CG ' ' A' ' 132' ' ' ASP . 0.8 OUTLIER -62.99 116.26 5.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.872 179.888 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.409 ' CD1' ' HB ' ' A' ' 97' ' ' VAL . 87.9 mt -65.39 124.55 22.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.688 ' HA ' HD12 ' A' ' 10' ' ' LEU . 73.3 p -115.74 165.0 13.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.702 ' HG3' HD11 ' A' ' 10' ' ' LEU . 43.9 mt-10 -70.59 155.57 40.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -48.75 118.2 2.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 3.1 t -100.28 43.67 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -108.86 166.62 12.78 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.432 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -36.2 11.21 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.626 2.217 . . . . 0.0 112.373 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 24.3 m -143.75 150.54 38.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 62.4 m -89.64 177.01 6.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.505 180.0 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 m -152.54 151.31 30.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.893 0.378 . . . . 0.0 110.835 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.9 m -58.48 116.56 3.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.847 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.35 133.96 12.29 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.513 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 t -100.51 -51.8 3.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.903 0.382 . . . . 0.0 110.866 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 t -111.26 154.28 24.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.842 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.08 146.29 7.3 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.439 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 79.1 p -133.12 81.69 56.13 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.664 0.745 . . . . 0.0 110.871 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -25.41 28.47 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.698 2.265 . . . . 0.0 112.34 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.482 HD22 ' O ' ' A' ' 111' ' ' LEU . 89.9 mt -92.71 -42.88 9.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 155.11 -179.54 31.05 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.473 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -140.48 158.62 43.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.759 0.314 . . . . 0.0 110.93 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.0 tt -150.59 138.62 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.077 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.483 ' HB2' ' CE2' ' A' ' 130' ' ' TRP . 38.3 tt0 -107.96 112.05 24.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.914 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.664 HD11 HG11 ' A' ' 95' ' ' VAL . 21.9 mt -127.79 136.1 51.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.977 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 90.6 m -102.4 109.48 21.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.17 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.51 ' CD1' HG11 ' A' ' 116' ' ' VAL . 4.9 mt -98.75 126.51 51.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -155.13 112.63 3.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.516 ' CE1' ' HB2' ' A' ' 85' ' ' LEU . 27.1 t-80 -103.39 102.42 12.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.0 t -70.05 143.36 52.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.829 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 76.6 p -85.84 -45.58 11.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.846 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.422 ' CD ' ' H ' ' A' ' 22' ' ' GLN . 2.0 pm0 -60.06 -21.26 61.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -112.01 -26.16 9.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.2 m120 59.0 42.9 18.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.5 mttt -123.57 164.36 19.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.497 HD21 HD13 ' A' ' 93' ' ' LEU . 16.8 tp -115.84 102.11 9.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.949 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.445 HD12 ' N ' ' A' ' 27' ' ' ILE . 4.3 mp -91.23 131.94 37.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.4 t -136.51 106.12 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.2 t -90.29 140.24 16.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.434 HG22 ' CD2' ' A' ' 15' ' ' LEU . 35.8 t -119.57 92.8 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.17 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -58.27 -74.94 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -175.03 157.92 2.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.063 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 57.6 m -107.47 169.14 8.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 23.5 ptt180 -162.39 174.67 12.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 48.64 50.32 17.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 74.0 mt -100.47 86.94 3.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.49 ' O ' HD12 ' A' ' 37' ' ' ILE . 1.8 pp -40.55 135.12 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.783 ' HB3' ' HA ' ' A' ' 41' ' ' GLU . . . -92.02 142.88 27.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.106 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -51.81 -41.73 61.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.8 t -128.91 21.66 5.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.783 ' HA ' ' HB3' ' A' ' 38' ' ' ALA . 23.4 mt-10 46.47 29.87 0.97 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -113.54 -37.43 4.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 153.51 108.27 0.34 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.491 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.8 m -111.4 172.67 6.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.868 0.366 . . . . 0.0 110.851 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.19 76.89 0.65 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.605 0.717 . . . . 0.0 110.86 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 136.85 34.13 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.669 2.246 . . . . 0.0 112.361 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.487 ' HB3' HG23 ' A' ' 66' ' ' VAL . 3.8 p90 -156.81 145.98 20.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.639 HG22 HG22 ' A' ' 97' ' ' VAL . 94.6 t -92.27 149.83 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.09 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.58 133.07 34.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.834 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 75.9 mtm -121.02 144.62 48.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -155.16 122.47 5.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.464 ' HG ' ' CZ ' ' A' ' 91' ' ' ARG . 8.4 tp -75.67 85.74 2.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.875 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.542 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 51.4 mt -64.92 150.99 94.19 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.63 0.729 . . . . 0.0 110.907 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 54.1 Cg_endo -69.74 -36.77 2.21 Favored 'Cis proline' 0 C--O 1.231 0.151 0 C-N-CA 122.727 -1.781 . . . . 0.0 112.393 -0.132 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 54' ' ' PRO . 10.6 t70 -33.3 119.6 0.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.1 mmtt -120.52 1.79 10.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 58.0 mtt180 -39.19 123.8 1.42 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.63 -12.82 61.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.1 t -62.76 -47.81 81.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -96.59 34.42 5.02 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.486 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.9 ttp-105 -72.66 137.0 45.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.794 0.33 . . . . 0.0 110.887 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.494 ' HG3' ' CE2' ' A' ' 81' ' ' PHE . 18.3 mmm180 -137.73 108.76 6.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.4 pttt -141.39 169.32 17.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 22.2 p -99.18 154.88 17.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.149 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 21.4 p-80 -54.24 152.89 5.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.828 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.487 HG23 ' HB3' ' A' ' 47' ' ' TYR . 4.0 p -102.62 122.35 54.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.095 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.0 m -90.06 152.79 20.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 17.2 mtpt -117.34 144.96 44.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.1 mptt 61.91 50.29 4.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.4 t -162.79 137.31 6.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.174 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.6 mp -93.96 -29.55 15.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.953 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -112.98 79.16 3.3 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.609 0.718 . . . . 0.0 110.907 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.402 ' HB2' ' CZ ' ' A' ' 75' ' ' PHE . 53.5 Cg_endo -69.78 144.38 53.77 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.658 2.238 . . . . 0.0 112.376 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 91.8 t -117.46 139.73 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.147 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.402 ' CZ ' ' HB2' ' A' ' 73' ' ' PRO . 3.0 m-85 -133.02 -52.2 0.9 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.6 t70 54.68 32.33 17.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -103.03 151.2 22.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 31.3 t -121.74 134.01 54.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.438 ' CD2' ' HB3' ' A' ' 62' ' ' ARG . 32.7 m-85 -115.1 169.79 8.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -153.19 148.45 26.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.854 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.494 ' CE2' ' HG3' ' A' ' 62' ' ' ARG . 12.3 m-85 -139.19 125.04 19.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 36.1 p -72.93 89.66 1.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.855 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.8 p -143.64 135.3 23.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.14 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.449 ' C ' ' HD2' ' A' ' 86' ' ' PRO . 0.9 OUTLIER -73.77 144.03 45.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.834 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.597 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 4.0 tp -51.95 -44.69 92.22 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.595 0.712 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 66.3 Cg_exo -48.01 -33.64 21.06 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.706 2.271 . . . . 0.0 112.314 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -88.55 -59.02 2.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.635 HG22 HD12 ' A' ' 118' ' ' LEU . 1.8 p -48.78 -33.83 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.656 ' O ' ' HB2' ' A' ' 119' ' ' ALA . 34.2 mt-30 -53.03 -43.8 66.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.941 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 10.9 ptt180 -90.17 13.52 14.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.464 ' CZ ' ' HG ' ' A' ' 52' ' ' LEU . 45.2 mtp180 -115.27 179.43 3.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.476 HG23 ' O ' ' A' ' 116' ' ' VAL . 21.2 m -144.49 145.73 32.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.153 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.497 HD13 HD21 ' A' ' 26' ' ' LEU . 3.7 tp -93.2 105.05 17.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.41 ' OD2' HD11 ' A' ' 53' ' ' LEU . 5.6 t70 -70.74 100.04 1.81 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.879 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.664 HG11 HD11 ' A' ' 15' ' ' LEU . 18.6 t -115.71 102.8 14.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.107 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.586 ' HB1' ' CE ' ' A' ' 98' ' ' LYS . . . -125.64 129.83 50.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.121 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.639 HG22 HG22 ' A' ' 48' ' ' VAL . 96.1 t -108.48 103.08 14.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.158 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.586 ' CE ' ' HB1' ' A' ' 96' ' ' ALA . 3.0 ptpt -135.52 177.98 7.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -80.09 131.13 35.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.929 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 101' ' ' GLY . 14.6 t -56.14 -60.68 3.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 102' ' ' GLY . . . 37.37 -107.89 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.48 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 101' ' ' GLY . . . -37.01 108.28 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.519 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -87.49 -23.87 24.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.927 0.394 . . . . 0.0 110.905 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.425 HD13 ' HA ' ' A' ' 104' ' ' LEU . 4.0 mm? -103.2 25.31 9.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 45.9 m -145.05 -175.0 4.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -95.74 -30.14 13.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.907 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -175.07 147.15 0.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -116.06 -29.78 6.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -151.56 115.33 0.69 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.508 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 7.2 tp -79.93 115.01 19.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.87 0.367 . . . . 0.0 110.902 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.482 ' O ' HD22 ' A' ' 10' ' ' LEU . 46.9 mt -87.63 -38.07 16.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.916 ' O ' HD22 ' A' ' 133' ' ' LEU . . . 177.83 123.65 0.81 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.435 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -127.85 163.3 24.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.836 0.351 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 12.6 p -157.26 131.34 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.156 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.474 ' HA ' HD13 ' A' ' 115' ' ' LEU . 2.6 mm? -100.61 138.13 38.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.95 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.51 HG11 ' CD1' ' A' ' 17' ' ' ILE . 85.7 t -120.26 129.58 75.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.175 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -85.59 114.07 22.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.635 HD12 HG22 ' A' ' 88' ' ' VAL . 6.8 mt -89.93 24.5 2.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.656 ' HB2' ' O ' ' A' ' 89' ' ' GLN . . . -90.85 15.79 10.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.07 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.1 m -97.46 158.79 15.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 123' ' ' LEU . 0.6 OUTLIER -85.47 -33.65 21.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.915 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -38.67 -28.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 121' ' ' GLU . 25.6 mt -45.12 -48.53 12.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.927 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 123' ' ' LEU . . . -35.83 -34.98 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 123' ' ' LEU . 45.3 mttp -105.93 -39.05 6.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 93.46 153.35 30.18 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.483 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 30.7 p90 -147.09 166.53 26.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.856 0.36 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 41.4 m -140.78 133.58 28.96 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.165 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.493 ' CG ' ' CE1' ' A' ' 131' ' ' TYR . 12.1 pt20 -161.53 159.36 27.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' TRP . . . . . 0.483 ' CE2' ' HB2' ' A' ' 14' ' ' GLN . 75.1 m95 -85.91 101.27 12.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.493 ' CE1' ' CG ' ' A' ' 129' ' ' GLN . 30.1 m-85 -76.28 104.04 6.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -65.65 117.77 8.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.824 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.916 HD22 ' O ' ' A' ' 112' ' ' GLY . 11.9 mt -63.53 144.08 57.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 71.9 p -130.8 173.6 10.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.154 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -75.42 156.93 34.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -58.88 -59.51 5.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.8 m -116.06 150.91 36.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -132.64 -93.01 0.54 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.466 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 116.92 4.78 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.719 2.279 . . . . 0.0 112.345 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 3.7 m -99.2 101.76 13.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 5.1 t -121.89 -53.4 1.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.501 -179.97 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -64.97 155.67 33.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.809 0.338 . . . . 0.0 110.909 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.1 t 63.88 42.07 6.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.79 142.47 16.82 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.528 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.9 t -126.75 97.98 5.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.904 0.383 . . . . 0.0 110.836 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -84.77 78.31 9.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.872 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.05 98.37 0.14 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.461 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.417 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . 77.3 p -126.62 108.89 22.99 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.671 0.748 . . . . 0.0 110.835 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 8' ' ' SER . 53.4 Cg_endo -69.82 -19.79 35.41 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.64 2.227 . . . . 0.0 112.355 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.751 HD22 ' O ' ' A' ' 111' ' ' LEU . 62.1 mt -91.47 -43.12 9.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 143.09 -168.46 26.06 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -147.25 164.63 32.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.821 0.343 . . . . 0.0 110.881 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.507 HD11 HD21 ' A' ' 15' ' ' LEU . 13.0 tt -152.65 135.17 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.525 ' HB2' ' CE2' ' A' ' 130' ' ' TRP . 10.0 tt0 -100.64 122.26 43.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.801 HD22 HG22 ' A' ' 30' ' ' VAL . 54.8 mt -135.17 123.75 23.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.4 m -89.05 98.0 11.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.136 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.45 ' CD1' HG11 ' A' ' 116' ' ' VAL . 11.9 mt -96.57 110.91 25.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.145 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.0 ttt180 -142.57 110.73 6.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.523 ' CE1' ' HA ' ' A' ' 24' ' ' ASN . 6.0 t-80 -98.01 119.37 36.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.478 ' O ' ' CE1' ' A' ' 19' ' ' HIS . 4.7 t -75.09 145.32 42.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 37.1 p -79.36 -55.18 5.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -60.61 -41.41 94.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.0 mtt-85 -84.13 -19.32 34.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.523 ' HA ' ' CE1' ' A' ' 19' ' ' HIS . 10.2 m120 45.11 48.8 9.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.7 mttt -128.83 147.68 50.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.714 HD13 HG21 ' A' ' 88' ' ' VAL . 12.9 tp -103.98 109.9 21.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.445 HD12 ' N ' ' A' ' 27' ' ' ILE . 4.9 mp -103.06 139.59 23.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.1 t -135.95 113.08 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.173 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.4 t -100.66 130.23 50.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.801 HG22 HD22 ' A' ' 15' ' ' LEU . 26.4 t -110.86 96.68 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -61.58 -72.76 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.513 ' HB1' ' O ' ' A' ' 73' ' ' PRO . . . -171.01 154.39 4.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.145 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.46 ' SG ' HD12 ' A' ' 13' ' ' ILE . 46.9 m -107.71 152.03 24.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.7 ptt180 -141.5 164.18 30.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 61.9 47.89 5.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.51 HD12 ' O ' ' A' ' 71' ' ' LEU . 97.6 mt -106.33 99.28 8.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.604 ' O ' HD12 ' A' ' 37' ' ' ILE . 2.5 pp -61.37 135.1 26.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.137 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -94.8 129.52 41.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -45.95 -25.15 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.6 t -152.29 127.31 9.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -39.53 -41.68 1.04 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -38.29 -46.41 1.09 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 134.72 140.67 4.29 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.476 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.4 m -124.59 175.24 7.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.885 0.374 . . . . 0.0 110.84 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -115.76 86.46 15.98 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.63 0.729 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 139.96 41.39 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.675 2.25 . . . . 0.0 112.324 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.502 ' CB ' HG22 ' A' ' 66' ' ' VAL . 4.2 p90 -149.31 134.47 18.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 59.7 t -84.53 144.18 10.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.142 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.6 ttt180 -125.22 145.16 50.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 63.4 mtm -135.12 122.43 21.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.423 ' CE1' ' HB2' ' A' ' 61' ' ' ARG . 4.4 m-85 -135.05 122.5 21.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.8 tp -76.19 93.04 3.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.538 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 80.4 mt -71.21 154.49 93.82 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.6 0.714 . . . . 0.0 110.92 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 54.0 Cg_endo -69.72 -42.51 0.74 Allowed 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.351 -0.191 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 54' ' ' PRO . 19.5 m-20 -33.8 116.79 0.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 57' ' ' ARG . 24.2 mtmm -119.34 15.09 13.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 56' ' ' LYS . 17.5 mmm180 -34.0 117.84 0.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 84.3 mtm-85 -85.64 32.95 0.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.868 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 45.8 m -108.87 -42.38 4.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.825 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -110.51 29.57 8.95 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.499 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.423 ' HB2' ' CE1' ' A' ' 51' ' ' TYR . 21.1 ptt180 -47.98 150.49 1.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.786 0.327 . . . . 0.0 110.873 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -133.86 121.92 22.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -146.57 171.05 15.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.919 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 43.2 p -96.31 172.2 8.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.166 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -57.73 158.46 6.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.502 HG22 ' CB ' ' A' ' 47' ' ' TYR . 75.2 t -103.98 105.23 18.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.0 m -82.41 149.29 27.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 57.5 mttt -123.77 163.21 21.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.8 mptt 48.03 41.63 15.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.865 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.7 t -160.94 140.22 10.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.11 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.51 ' O ' HD12 ' A' ' 36' ' ' LEU . 45.6 mt -97.88 -33.33 11.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -108.13 80.18 1.04 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.599 0.714 . . . . 0.0 110.926 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.513 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 53.6 Cg_endo -69.78 162.67 41.17 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.7 2.267 . . . . 0.0 112.35 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.46 ' O ' HG13 ' A' ' 74' ' ' VAL . 3.6 p -150.74 109.09 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.083 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -106.74 -26.57 11.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.3 t0 43.92 31.85 0.55 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -86.93 159.64 18.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 26.9 t -130.98 118.46 20.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.789 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.411 ' O ' HG23 ' A' ' 27' ' ' ILE . 12.9 m-85 -101.51 167.25 10.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -146.83 155.69 42.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -149.95 123.5 9.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 36.9 p -69.47 88.6 0.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.42 ' O ' ' NE2' ' A' ' 19' ' ' HIS . 3.3 p -143.87 133.77 20.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.094 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.478 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 0.8 OUTLIER -73.83 147.1 43.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.909 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.613 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 8.1 tp -53.86 -43.76 97.0 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.572 0.701 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 65.9 Cg_exo -47.95 -32.39 17.77 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.745 2.297 . . . . 0.0 112.328 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -90.99 -61.01 1.76 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.714 HG21 HD13 ' A' ' 26' ' ' LEU . 0.9 OUTLIER -43.03 -34.2 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.115 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.816 ' O ' ' HB2' ' A' ' 119' ' ' ALA . 17.7 mt-30 -50.66 -56.12 13.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.2 mtt-85 -69.94 -33.53 72.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 87.8 mtt-85 -66.87 170.3 6.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 28.6 m -137.32 144.21 42.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.111 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.827 ' HB2' HD21 ' A' ' 118' ' ' LEU . 6.0 tp -88.18 110.03 20.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.939 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -83.08 98.99 9.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.705 HG11 HD11 ' A' ' 15' ' ' LEU . 9.8 t -112.48 111.22 35.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -133.39 123.27 25.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.063 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 43.8 t -101.59 105.08 17.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.102 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.1 pttt -128.98 176.7 7.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 34.1 p-10 -86.53 122.67 30.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 32.6 p -51.54 121.98 7.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.836 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 115.45 -169.66 12.99 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.466 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.55 53.19 1.35 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.447 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.444 ' O ' ' CD2' ' A' ' 103' ' ' PHE . 23.4 p90 -120.25 69.93 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.859 0.362 . . . . 0.0 110.87 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.405 HD22 ' N ' ' A' ' 104' ' ' LEU . 3.9 mm? -103.63 -59.13 1.77 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.461 ' O ' ' C ' ' A' ' 106' ' ' LYS . 2.2 m -154.79 105.64 2.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.838 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 105' ' ' SER . 15.4 ptmt 33.05 53.29 0.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.63 147.63 30.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.462 ' O ' ' C ' ' A' ' 109' ' ' GLY . 0.0 OUTLIER -117.09 -36.89 3.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.462 ' C ' ' O ' ' A' ' 108' ' ' LYS . . . 32.9 87.43 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.519 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.45 HD21 ' HG2' ' A' ' 113' ' ' LYS . 11.7 tp -118.05 116.6 27.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.825 0.345 . . . . 0.0 110.957 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.751 ' O ' HD22 ' A' ' 10' ' ' LEU . 60.8 mt -61.57 -50.1 73.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.667 ' O ' HD22 ' A' ' 133' ' ' LEU . . . -176.15 136.83 3.41 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.477 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.45 ' HG2' HD21 ' A' ' 110' ' ' LEU . 17.1 ptmt -128.95 150.1 50.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.771 0.32 . . . . 0.0 110.914 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.531 HG13 ' O ' ' A' ' 114' ' ' VAL . 13.6 p -141.83 119.16 7.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.158 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -84.11 149.25 26.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.592 HG21 ' CE2' ' A' ' 131' ' ' TYR . 50.4 t -131.96 107.42 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.59 101.23 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.827 HD21 ' HB2' ' A' ' 93' ' ' LEU . 53.7 mt -65.46 -7.91 16.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.816 ' HB2' ' O ' ' A' ' 89' ' ' GLN . . . -82.62 37.43 0.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.7 m -79.13 -4.38 50.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 48.36 25.5 0.91 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -133.75 3.27 3.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.639 HD11 ' O ' ' A' ' 118' ' ' LEU . 10.3 mt -57.41 -13.38 3.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -68.62 -23.55 64.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.064 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -102.63 -46.23 4.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 95.16 141.46 11.75 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.469 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 27.5 p90 -140.9 156.28 46.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.82 0.343 . . . . 0.0 110.937 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 90.6 m -131.27 112.47 12.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.158 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.509 ' CG ' ' CE1' ' A' ' 131' ' ' TYR . 8.1 pt20 -142.7 163.45 32.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' TRP . . . . . 0.525 ' CE2' ' HB2' ' A' ' 14' ' ' GLN . 41.0 m95 -93.47 98.86 11.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.592 ' CE2' HG21 ' A' ' 116' ' ' VAL . 19.3 m-85 -68.7 105.28 2.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.923 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -67.34 122.96 19.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.901 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.667 HD22 ' O ' ' A' ' 112' ' ' GLY . 60.6 mt -64.95 149.85 49.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 62.0 p -142.41 168.96 18.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -67.47 156.17 37.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 137' ' ' SER . 13.7 p-10 -79.02 -45.84 19.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 136' ' ' ASP . 25.6 t -34.43 122.85 0.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.821 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -163.8 86.01 0.1 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.485 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 152.67 69.29 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.649 2.233 . . . . 0.0 112.36 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 96.0 p 44.67 36.06 1.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.883 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 60.7 p -45.86 -46.56 15.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.861 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.483 179.985 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -91.61 51.11 1.81 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.827 0.346 . . . . 0.0 110.839 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.9 m -119.96 141.17 49.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.32 39.27 1.64 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -106.39 142.45 36.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.89 0.376 . . . . 0.0 110.862 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.0 t -120.84 43.25 2.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.849 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.08 178.66 36.95 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.484 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.444 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . 86.5 p -134.79 103.05 11.05 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.687 0.756 . . . . 0.0 110.886 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.444 ' HD2' ' HA ' ' A' ' 8' ' ' SER . 54.3 Cg_endo -69.68 -30.37 22.77 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.688 2.259 . . . . 0.0 112.367 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.86 HD22 ' O ' ' A' ' 111' ' ' LEU . 96.1 mt -77.96 -47.16 19.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.945 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 140.78 179.62 18.38 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.449 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -130.65 -176.96 4.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.757 0.313 . . . . 0.0 110.956 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.721 HD11 HD21 ' A' ' 15' ' ' LEU . 9.1 tt -168.32 146.03 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.166 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.413 ' HB2' ' CE2' ' A' ' 130' ' ' TRP . 29.0 tt0 -112.55 120.22 40.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.721 HD21 HD11 ' A' ' 13' ' ' ILE . 29.7 mt -132.56 123.68 26.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 94.4 m -91.13 106.56 18.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.785 ' CD1' HG11 ' A' ' 116' ' ' VAL . 14.4 mt -98.8 122.04 50.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.157 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 64.4 ttt-85 -150.04 108.22 3.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -97.89 111.32 23.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.835 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.8 t -73.68 120.63 19.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.861 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 78.3 p -71.07 -16.4 62.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.826 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -87.9 -40.23 14.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -89.52 -20.88 23.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.9 m120 61.72 37.5 15.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -124.4 163.21 22.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.1 tp -116.19 106.69 13.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.416 HD12 ' N ' ' A' ' 27' ' ' ILE . 4.2 mp -93.81 138.56 20.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.1 t -142.38 111.68 2.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.097 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 38.7 t -94.32 119.49 42.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.1 t -95.31 73.7 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -40.51 -74.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -175.06 166.91 3.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.111 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.403 ' SG ' HD12 ' A' ' 13' ' ' ILE . 66.0 m -120.96 151.15 40.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.0 ptt180 -140.61 168.33 20.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 58.48 47.56 13.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 58.4 mt -104.37 100.86 10.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.794 ' O ' HD12 ' A' ' 37' ' ' ILE . 2.8 pp -59.41 128.66 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.603 ' HB2' ' CD2' ' A' ' 71' ' ' LEU . . . -88.41 124.69 34.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.089 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -47.08 -22.28 0.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.6 t -147.52 142.15 26.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.832 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 42' ' ' ASP . 12.7 pt-20 -56.48 -49.44 74.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.443 ' N ' ' HG3' ' A' ' 41' ' ' GLU . 0.5 OUTLIER -36.8 -44.8 0.5 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 146.41 153.09 5.79 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.536 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.2 m -133.66 159.77 39.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.89 0.376 . . . . 0.0 110.84 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.1 83.55 2.33 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.623 0.725 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 153.97 68.04 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.677 2.251 . . . . 0.0 112.311 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -167.17 138.41 3.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.614 HG22 HG22 ' A' ' 97' ' ' VAL . 67.0 t -91.5 151.9 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.115 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -135.45 140.82 45.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 61.0 mtm -123.87 127.4 47.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.543 ' CE1' ' HB2' ' A' ' 61' ' ' ARG . 7.3 m-85 -136.22 122.94 21.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.8 tp -78.43 98.98 6.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.939 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.537 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 78.9 mt -75.01 154.58 86.68 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.62 0.724 . . . . 0.0 110.912 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.5 Cg_endo -69.75 -38.17 1.72 Allowed 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.643 -1.815 . . . . 0.0 112.348 -0.153 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.462 ' C ' ' O ' ' A' ' 54' ' ' PRO . 3.5 m-20 -33.06 129.28 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 57' ' ' ARG . 21.8 mmmt -113.41 35.44 4.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.903 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 56' ' ' LYS . 11.9 mmm180 -33.69 118.62 0.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.8 ttt180 -96.82 -30.73 13.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.816 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 79.3 p -85.78 -3.9 59.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -125.95 12.75 7.24 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.454 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.543 ' HB2' ' CE1' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -48.41 152.74 0.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.843 0.354 . . . . 0.0 110.839 -179.832 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.442 ' HG3' ' CD2' ' A' ' 79' ' ' PHE . 1.0 OUTLIER -129.13 110.24 11.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.896 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.6 ptmt -134.67 168.92 18.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 27.9 p -100.43 171.44 7.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.41 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 13.1 m-70 -56.67 152.2 12.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 33.6 t -97.06 115.89 37.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.109 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.492 ' HB3' HG21 ' A' ' 70' ' ' THR . 4.9 m -84.91 139.14 32.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -114.1 143.53 44.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? 58.89 52.98 6.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.492 HG21 ' HB3' ' A' ' 67' ' ' SER . 0.8 OUTLIER -165.73 149.54 8.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.603 ' CD2' ' HB2' ' A' ' 38' ' ' ALA . 90.7 mt -105.7 -22.76 12.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -117.6 82.9 16.48 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.58 0.705 . . . . 0.0 110.896 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.455 ' HB2' ' CZ ' ' A' ' 75' ' ' PHE . 53.7 Cg_endo -69.76 138.78 38.62 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.684 2.256 . . . . 0.0 112.331 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 54.6 t -126.64 115.36 41.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.091 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.455 ' CZ ' ' HB2' ' A' ' 73' ' ' PRO . 7.7 m-85 -110.29 -61.02 1.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.4 t0 72.65 28.87 2.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -88.35 156.59 19.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.4 t -125.08 118.11 25.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.442 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 5.4 m-85 -108.08 149.85 27.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.886 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.09 153.84 50.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.831 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -142.65 126.46 17.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 48.2 p -70.79 91.52 0.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.6 p -143.6 133.93 21.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.075 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.469 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 1.0 OUTLIER -75.12 146.8 41.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.853 -179.834 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.609 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 4.3 tp -52.99 -44.4 96.87 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.63 0.729 . . . . 0.0 110.895 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 65.9 Cg_exo -47.97 -32.24 17.58 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.71 2.273 . . . . 0.0 112.333 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -92.56 -54.26 3.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.468 HG12 ' HA ' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -47.45 -34.74 3.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.426 ' OE1' ' HA ' ' A' ' 86' ' ' PRO . 74.1 mt-30 -55.48 -57.68 10.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -69.51 -23.44 63.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 12.8 mtp85 -81.08 174.54 11.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.465 HG22 ' N ' ' A' ' 93' ' ' LEU . 53.5 m -141.39 156.67 45.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.465 ' N ' HG22 ' A' ' 92' ' ' THR . 11.2 tp -99.76 111.36 23.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -84.31 102.49 12.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.704 HG11 HD11 ' A' ' 15' ' ' LEU . 23.5 t -110.79 100.65 11.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.125 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.53 ' HB1' ' CE ' ' A' ' 98' ' ' LYS . . . -117.73 117.01 28.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.614 HG22 HG22 ' A' ' 48' ' ' VAL . 64.8 t -100.24 108.05 22.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.165 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.53 ' CE ' ' HB1' ' A' ' 96' ' ' ALA . 0.1 OUTLIER -132.4 176.49 8.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.584 ' HB3' HD11 ' A' ' 111' ' ' LEU . 4.5 p30 -94.8 120.99 35.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.3 t -60.91 143.15 55.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 63.25 -142.94 47.91 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.476 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 129.81 -163.98 22.67 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.465 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -75.85 -49.29 18.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.909 0.385 . . . . 0.0 110.929 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.1 mp -82.27 147.0 29.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 30.8 t -75.53 -44.1 45.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -118.79 106.34 12.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.457 ' N ' ' OD1' ' A' ' 107' ' ' ASP . 3.3 p-10 -157.64 -178.46 7.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 64.2 mttt -103.05 -35.08 8.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 40.55 37.92 1.35 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.53 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.419 ' CD2' ' HB2' ' A' ' 136' ' ' ASP . 3.2 tp -72.64 119.4 16.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.881 0.372 . . . . 0.0 110.912 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.86 ' O ' HD22 ' A' ' 10' ' ' LEU . 3.9 mt -102.7 -30.62 10.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.771 ' C ' HD22 ' A' ' 133' ' ' LEU . . . -174.17 125.45 1.11 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.474 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.646 ' N ' HD22 ' A' ' 133' ' ' LEU . 12.3 ptmt -136.84 160.03 40.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 7.6 p -161.8 138.73 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.125 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -97.28 148.59 22.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.92 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.785 HG11 ' CD1' ' A' ' 17' ' ' ILE . 71.0 t -128.31 116.65 42.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.154 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -77.59 112.78 14.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.066 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.425 ' CD1' HG22 ' A' ' 88' ' ' VAL . 6.4 mt -90.08 25.92 2.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.876 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -93.38 26.94 2.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.075 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.7 m -91.19 -175.96 4.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.819 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -121.61 -6.54 9.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -89.08 17.84 5.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 27.7 mt -75.59 -29.49 59.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.949 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -54.06 -38.91 65.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.28 -46.4 5.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 105.96 159.59 22.55 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.503 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 25.1 p90 -148.03 161.95 40.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.826 0.346 . . . . 0.0 110.951 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 89.4 m -133.77 131.17 39.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.119 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -161.05 165.22 30.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' TRP . . . . . 0.413 ' CE2' ' HB2' ' A' ' 14' ' ' GLN . 71.9 m95 -97.13 117.19 30.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -90.78 102.97 15.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.943 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -61.16 116.68 4.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.771 HD22 ' C ' ' A' ' 112' ' ' GLY . 67.6 mt -65.09 146.69 54.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.942 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 59.3 p -133.88 -178.03 4.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.17 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -78.96 171.21 15.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' ASP . . . . . 0.419 ' HB2' ' CD2' ' A' ' 110' ' ' LEU . 0.7 OUTLIER -72.4 -62.22 1.52 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.4 t -102.12 126.2 49.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -40.17 154.46 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.498 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 167.84 23.21 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.71 2.273 . . . . 0.0 112.387 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 8.5 m -160.37 156.31 26.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.88 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 78.6 p 45.41 41.62 6.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.51 -179.96 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.1 m -61.38 166.87 3.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.897 0.379 . . . . 0.0 110.849 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.8 m -125.31 130.75 52.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.75 60.86 0.51 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.459 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -83.3 125.85 32.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.854 0.359 . . . . 0.0 110.874 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.7 t -83.77 97.21 9.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.26 130.63 3.28 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.521 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.6 m -155.86 121.17 2.51 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.645 0.736 . . . . 0.0 110.894 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -22.22 32.38 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.741 2.294 . . . . 0.0 112.315 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.729 HD22 ' O ' ' A' ' 111' ' ' LEU . 91.6 mt -89.35 -48.93 7.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 142.86 -177.19 22.02 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.519 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -136.38 -179.07 5.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.716 0.293 . . . . 0.0 110.932 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.634 HD12 ' SG ' ' A' ' 33' ' ' CYS . 16.7 tt -166.0 137.95 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -105.85 119.63 39.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.3 mt -135.11 140.03 45.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 93.9 m -104.54 104.19 13.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.179 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 61.2 mt -98.8 119.78 47.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.126 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.8 ttm105 -147.73 116.03 6.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.479 ' CE1' ' HB2' ' A' ' 85' ' ' LEU . 28.5 t-80 -99.74 102.36 13.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.4 t -70.68 137.81 50.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.899 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 63.8 p -82.91 -40.24 20.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -66.9 -14.56 62.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.921 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.7 mmm-85 -119.25 -29.92 5.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.1 m120 62.69 44.63 6.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.7 mttt -131.65 147.13 52.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.512 HD21 HD13 ' A' ' 93' ' ' LEU . 24.6 tp -101.26 108.17 19.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.7 mp -97.64 130.26 46.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.114 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.9 t -132.06 112.86 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.3 t -96.83 132.32 41.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.092 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.7 t -106.38 91.64 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.413 ' O ' HG23 ' A' ' 74' ' ' VAL . 98.3 m-70 -56.34 -73.15 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.443 ' HB1' ' O ' ' A' ' 73' ' ' PRO . . . -172.24 159.1 4.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.092 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.634 ' SG ' HD12 ' A' ' 13' ' ' ILE . 63.2 m -111.31 143.98 41.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -133.81 172.11 13.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 m120 51.88 44.19 29.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.506 HD11 ' CB ' ' A' ' 33' ' ' CYS . 86.5 mt -101.02 93.0 5.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.423 HD12 ' C ' ' A' ' 37' ' ' ILE . 2.5 pp -53.98 150.11 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -110.66 131.94 54.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -51.85 -29.07 18.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 41' ' ' GLU . 4.2 t -144.68 117.48 8.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 40' ' ' SER . 7.6 mm-40 -34.44 -44.79 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 41' ' ' GLU . 10.9 t0 -35.32 -49.08 0.5 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.88 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 152.14 153.16 6.16 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.0 p -138.94 158.7 43.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.846 0.355 . . . . 0.0 110.859 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.74 84.13 3.96 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.585 0.707 . . . . 0.0 110.831 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 140.68 43.29 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.71 2.274 . . . . 0.0 112.323 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.529 ' CD1' ' OG ' ' A' ' 100' ' ' SER . 3.4 p90 -148.01 133.43 18.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.633 HG22 HG22 ' A' ' 97' ' ' VAL . 58.6 t -92.24 144.49 9.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.173 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.431 ' HD2' ' C ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -134.09 150.02 51.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 67.4 mtm -137.85 151.81 48.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.543 ' CZ ' ' HB2' ' A' ' 61' ' ' ARG . 10.5 m-85 -148.91 167.55 25.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.405 ' O ' ' O ' ' A' ' 55' ' ' ASP . 15.3 tp -123.34 87.89 2.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.536 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 45.3 mt -66.22 153.2 92.82 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.598 0.713 . . . . 0.0 110.904 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.6 Cg_endo -69.78 -46.77 0.34 Allowed 'Cis proline' 0 C--O 1.232 0.177 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.346 -0.1 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.9 OUTLIER -36.06 113.69 0.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.873 179.919 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.477 ' HE3' HD21 ' A' ' 53' ' ' LEU . 42.2 mttt -106.68 49.32 0.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 38.4 mtp85 -47.55 93.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.817 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 56' ' ' LYS . 3.5 ptp180 -82.31 -14.36 55.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 69.2 m -74.72 -33.65 62.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -125.47 31.02 4.32 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.495 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.543 ' HB2' ' CZ ' ' A' ' 51' ' ' TYR . 4.9 ptt180 -51.82 153.85 2.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.781 0.324 . . . . 0.0 110.922 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.571 ' HG3' ' CE2' ' A' ' 81' ' ' PHE . 28.3 mmt-85 -113.15 110.38 20.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.3 pttt -137.77 169.23 18.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 49.3 p -96.49 156.48 16.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.163 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 40.5 t60 -53.2 156.29 2.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.5 t -95.11 108.4 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.8 m -90.26 146.93 23.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 72.0 mttt -119.16 165.3 14.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp 47.56 53.33 11.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.3 t -169.15 128.51 1.04 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 71' ' ' LEU . 21.0 mt -89.52 -30.86 17.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 14.0 p-10 -115.07 78.22 5.5 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.65 0.738 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.443 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 53.7 Cg_endo -69.81 162.78 40.79 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.649 2.233 . . . . 0.0 112.368 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.428 HG23 ' HB2' ' A' ' 32' ' ' ALA . 2.6 p -150.36 120.15 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.476 ' O ' ' N ' ' A' ' 77' ' ' GLN . 1.4 m-85 -114.76 -21.75 10.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 75' ' ' PHE . 1.5 m-20 36.56 30.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 75' ' ' PHE . 5.1 tt0 -82.77 164.58 20.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.8 t -130.39 117.82 20.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -102.74 174.49 5.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -154.6 153.39 31.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.571 ' CE2' ' HG3' ' A' ' 62' ' ' ARG . 51.0 m-85 -143.26 118.42 10.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 52.5 p -68.91 88.82 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.833 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.41 HG12 ' O ' ' A' ' 81' ' ' PHE . 2.4 p -143.83 134.21 21.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.112 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.476 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 1.4 m -73.87 146.51 44.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.842 HD13 ' C ' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -50.71 -44.91 85.81 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.612 0.72 . . . . 0.0 110.946 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.72 ' N ' HD13 ' A' ' 85' ' ' LEU . 65.0 Cg_exo -48.0 -41.66 32.85 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.718 2.279 . . . . 0.0 112.335 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 89' ' ' GLN . 33.6 mt-10 -82.57 -57.3 3.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.461 HG12 ' O ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -40.81 -24.45 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.163 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.598 ' OE1' HD11 ' A' ' 85' ' ' LEU . 15.1 mt-30 -61.16 -57.78 11.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.5 mtp-105 -73.36 -18.87 61.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 41.2 mtt180 -80.84 168.08 19.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.406 HG22 ' N ' ' A' ' 93' ' ' LEU . 97.8 m -139.51 153.06 47.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.122 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.512 HD13 HD21 ' A' ' 26' ' ' LEU . 4.9 tp -97.96 101.83 13.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.63 102.81 5.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 11.3 t -112.63 110.65 32.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.43 ' HB1' ' CE ' ' A' ' 98' ' ' LYS . . . -128.99 124.95 36.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.084 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.633 HG22 HG22 ' A' ' 48' ' ' VAL . 75.8 t -104.44 103.42 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.553 ' HE2' HD13 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -116.58 -177.51 3.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.843 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.593 ' HB3' HD11 ' A' ' 111' ' ' LEU . 12.4 p-10 -110.27 108.9 19.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.529 ' OG ' ' CD1' ' A' ' 47' ' ' TYR . 4.0 m -66.8 125.27 25.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 157.86 -73.57 0.23 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.467 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 59.91 123.65 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.496 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -133.3 38.89 3.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.851 0.358 . . . . 0.0 110.875 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 8.2 mt -135.95 176.22 8.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.904 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 55.6 m -55.71 -71.31 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 15.6 mtmm -145.32 119.02 9.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -170.78 154.09 4.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -93.29 -29.62 15.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 50.11 64.59 3.45 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.499 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.553 HD13 ' HE2' ' A' ' 98' ' ' LYS . 7.0 tp -81.75 128.19 33.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.828 0.347 . . . . 0.0 110.923 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.729 ' O ' HD22 ' A' ' 10' ' ' LEU . 96.0 mt -92.03 -45.65 8.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.435 ' C ' HD22 ' A' ' 133' ' ' LEU . . . -173.23 145.85 8.6 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.478 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -150.49 150.2 30.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.831 0.348 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 7.2 p -145.43 130.18 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -93.79 148.66 21.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 96.2 t -131.19 117.75 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -74.78 109.68 8.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 21.7 mt -85.66 25.2 1.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -90.55 23.76 2.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.074 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.8 t -101.35 159.87 14.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -90.64 -33.03 15.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -43.33 -24.47 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 124' ' ' ALA . 18.6 mt -44.25 -48.1 9.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 123' ' ' LEU . . . -37.27 -34.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 179.786 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -105.57 -42.99 5.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 98.72 160.64 29.83 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.443 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 30.3 p90 -147.42 171.81 14.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.865 0.364 . . . . 0.0 110.872 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 89.4 m -144.11 123.68 13.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -157.95 166.88 31.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' TRP . . . . . . . . . . . . . 80.7 m95 -91.78 109.41 20.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -79.92 103.84 10.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.968 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.88 120.53 10.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.83 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.435 HD22 ' C ' ' A' ' 112' ' ' GLY . 51.4 mt -69.0 155.24 40.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.938 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.584 ' HA ' HD12 ' A' ' 10' ' ' LEU . 34.6 p -147.94 161.47 41.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.449 ' HG3' HD11 ' A' ' 10' ' ' LEU . 29.8 mt-10 -74.24 158.98 33.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' ASP . . . . . 0.444 ' HB2' ' CD2' ' A' ' 110' ' ' LEU . 14.0 t0 -74.22 79.34 1.8 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 4.0 t -90.98 104.55 17.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 178.45 145.34 6.0 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.485 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 109.02 2.22 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.671 2.247 . . . . 0.0 112.356 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 28.2 p -85.16 157.06 20.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.814 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 28.1 p -107.09 130.95 54.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.823 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.502 179.99 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.4 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 121.69 0.757 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -31.07 21.26 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.702 2.268 . . . . 0.0 112.356 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 134' ' ' THR . 50.9 mt -62.78 -46.72 86.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 134.7 176.78 14.53 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.513 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -134.52 -176.34 4.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.758 0.313 . . . . 0.0 110.937 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.625 HD12 ' SG ' ' A' ' 33' ' ' CYS . 12.3 tt -169.24 141.75 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.551 ' OE1' ' CD1' ' A' ' 130' ' ' TRP . 5.1 tt0 -109.98 120.33 42.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.741 HD11 HG11 ' A' ' 95' ' ' VAL . 48.5 mt -132.01 123.31 27.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 45.7 m -88.31 105.09 17.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 58.9 mt -97.56 126.63 50.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.151 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.2 ttt180 -151.6 109.37 3.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 -102.95 117.0 33.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.6 t -83.89 136.07 34.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.6 t -79.11 -33.94 43.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.838 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.442 ' OE1' ' NH1' ' A' ' 23' ' ' ARG . 47.0 tt0 -67.48 -48.61 66.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.98 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.442 ' NH1' ' OE1' ' A' ' 22' ' ' GLN . 7.1 mpt_? -86.78 -10.84 52.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 47.49 48.91 16.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -130.15 157.65 41.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 49.1 tp -111.85 106.98 15.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.945 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.413 HD12 ' N ' ' A' ' 27' ' ' ILE . 4.0 mp -95.37 130.24 44.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.15 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.9 t -136.08 114.49 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.156 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.429 HG13 ' O ' ' A' ' 77' ' ' GLN . 20.8 t -99.44 135.92 32.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.138 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.543 ' HA ' HD23 ' A' ' 15' ' ' LEU . 11.3 t -108.71 81.73 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -46.6 -74.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -175.04 169.9 3.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.126 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.625 ' SG ' HD12 ' A' ' 13' ' ' ILE . 14.8 m -120.41 155.13 34.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.919 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -143.93 164.69 29.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.818 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 56.03 44.46 25.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.4 mt -98.58 94.0 6.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.61 ' O ' HD12 ' A' ' 37' ' ' ILE . 2.7 pp -51.43 141.48 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.139 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.539 ' HB2' ' CD2' ' A' ' 71' ' ' LEU . . . -105.52 129.07 53.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.089 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -54.39 -18.52 4.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.9 t -154.91 122.92 5.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -46.07 -39.05 8.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -38.61 -48.0 1.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 154.58 132.85 1.68 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.433 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.487 ' HB3' ' HB1' ' A' ' 38' ' ' ALA . 10.8 p -117.61 159.28 23.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.829 0.347 . . . . 0.0 110.872 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.28 81.71 10.96 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.633 0.73 . . . . 0.0 110.876 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 147.03 62.04 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.685 2.257 . . . . 0.0 112.367 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.414 ' HB3' HG22 ' A' ' 66' ' ' VAL . 14.6 p90 -158.67 144.6 16.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.942 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.565 HG22 HG22 ' A' ' 97' ' ' VAL . 62.7 t -94.66 140.1 17.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.102 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.475 ' NE ' ' CD1' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -121.96 124.9 45.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 40.3 mtm -112.69 125.48 54.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.475 ' CD1' ' NE ' ' A' ' 49' ' ' ARG . 5.4 m-85 -134.41 133.17 40.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.891 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 52' ' ' LEU . 6.4 tp -88.69 92.02 9.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.962 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.533 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 2.3 mm? -69.77 154.94 94.31 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.62 0.724 . . . . 0.0 110.909 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.6 Cg_endo -69.78 -40.05 1.19 Allowed 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.322 -0.103 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 54' ' ' PRO . 1.8 m-20 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 17.5 mmt180 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.898 0.38 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.5 ptmm? -132.35 166.09 22.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 57.0 p -96.66 170.08 9.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 47.9 t60 -52.8 156.21 2.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.414 HG22 ' HB3' ' A' ' 47' ' ' TYR . 90.5 t -106.51 103.0 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 61.6 m -71.2 143.16 50.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.838 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.8 mtpt -117.45 144.97 44.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.905 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 35.8 mmtm 59.06 49.82 8.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.0 t -165.16 146.81 7.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.1 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.539 ' CD2' ' HB2' ' A' ' 38' ' ' ALA . 66.4 mt -102.32 -29.18 11.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.974 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 24.5 p30 -109.21 80.99 1.52 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.64 0.733 . . . . 0.0 110.945 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.446 ' HB2' ' CZ ' ' A' ' 75' ' ' PHE . 53.7 Cg_endo -69.75 152.14 69.31 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.736 2.291 . . . . 0.0 112.32 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 60.0 t -136.79 120.85 23.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.446 ' CZ ' ' HB2' ' A' ' 73' ' ' PRO . 0.9 OUTLIER -118.44 -38.52 3.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 45.84 32.4 1.27 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.856 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.429 ' O ' HG13 ' A' ' 29' ' ' VAL . 25.0 mt-30 -91.67 165.83 13.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 40.7 t -131.02 127.15 37.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -109.58 168.39 9.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -150.45 150.21 31.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -145.56 121.97 10.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 33.2 p -69.62 91.27 0.59 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.896 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.7 p -143.51 134.81 22.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.135 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.49 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 0.8 OUTLIER -73.77 148.53 42.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.835 -179.836 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.621 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 3.9 tp -54.83 -43.65 98.82 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.579 0.704 . . . . 0.0 110.929 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 65.5 Cg_exo -48.01 -35.29 25.04 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.667 2.244 . . . . 0.0 112.314 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -88.89 -62.76 1.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.536 HG12 ' HA ' ' A' ' 85' ' ' LEU . 1.4 p -43.76 -25.05 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.073 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.423 ' OE1' ' HA ' ' A' ' 86' ' ' PRO . 61.1 mt-30 -62.63 -57.63 10.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -76.18 -2.38 30.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 33.6 mtp180 -97.63 173.57 7.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.51 HG23 ' O ' ' A' ' 116' ' ' VAL . 4.4 m -138.85 152.71 48.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.2 tp -103.52 97.44 7.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.424 ' CB ' HD21 ' A' ' 53' ' ' LEU . 10.0 t70 -70.12 104.75 2.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.741 HG11 HD11 ' A' ' 15' ' ' LEU . 24.4 t -113.83 101.86 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.101 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.514 ' HB1' ' HZ2' ' A' ' 98' ' ' LYS . . . -119.06 133.35 55.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.167 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.565 HG22 HG22 ' A' ' 48' ' ' VAL . 98.8 t -108.64 98.7 7.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.143 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.514 ' HZ2' ' HB1' ' A' ' 96' ' ' ALA . 13.9 mttp -113.14 176.17 5.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.725 ' HB3' HD11 ' A' ' 111' ' ' LEU . 25.5 p-10 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 11.1 tp . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.808 0.337 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.725 HD11 ' HB3' ' A' ' 99' ' ' ASN . 14.5 mt -87.78 -43.45 11.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.44 ' C ' HD22 ' A' ' 133' ' ' LEU . . . -172.57 146.82 9.4 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.519 ' CA ' HD22 ' A' ' 133' ' ' LEU . 14.6 ptmt -151.68 148.33 27.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.807 0.336 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.471 HG21 ' HB3' ' A' ' 131' ' ' TYR . 7.6 p -142.89 141.95 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.104 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -104.43 144.84 31.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.51 ' O ' HG23 ' A' ' 92' ' ' THR . 84.0 t -126.57 133.75 67.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -89.62 112.9 24.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.04 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.442 ' CD1' HG22 ' A' ' 88' ' ' VAL . 26.7 mt -87.54 23.06 2.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -89.02 27.75 1.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.097 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 42.3 t -96.99 155.0 16.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.825 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -94.26 -23.67 17.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -83.55 37.29 0.57 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 15.1 mt -85.14 -37.08 20.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -50.29 -43.43 53.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 34.1 mttp -75.45 -48.55 22.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 96.09 151.11 27.8 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.498 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 21.0 p90 -141.51 163.63 32.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.828 0.347 . . . . 0.0 110.937 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 18.0 m -132.75 127.18 34.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.187 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -158.86 162.4 36.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.959 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' TRP . . . . . 0.551 ' CD1' ' OE1' ' A' ' 14' ' ' GLN . 78.0 m95 -95.78 110.27 22.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . 0.471 ' HB3' HG21 ' A' ' 114' ' ' VAL . 26.5 m-85 -81.34 101.83 10.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.948 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.61 112.2 1.9 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.519 HD22 ' CA ' ' A' ' 113' ' ' LYS . 57.8 mt -61.81 146.16 50.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.956 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.471 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.1 p -135.77 172.6 12.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -67.68 167.35 13.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 3.9 p30 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.821 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.8 m . . . . . 0 C--O 1.231 0.11 0 CA-C-O 121.692 0.758 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -30.22 22.77 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.686 2.257 . . . . 0.0 112.335 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.52 HD22 ' O ' ' A' ' 111' ' ' LEU . 42.6 mt -93.92 -39.61 10.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.978 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 140.88 -167.37 25.65 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -144.05 171.12 14.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.813 0.34 . . . . 0.0 110.9 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.3 tt -158.06 142.33 7.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.155 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.489 ' HB2' ' CE2' ' A' ' 130' ' ' TRP . 30.4 tt0 -111.9 116.33 30.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.792 HD11 HG11 ' A' ' 95' ' ' VAL . 8.9 mt -129.18 127.06 40.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.956 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 90.1 m -92.29 104.56 16.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.486 HD12 HG11 ' A' ' 116' ' ' VAL . 51.3 mt -97.28 123.88 49.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.16 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.6 ttt-85 -150.59 106.79 3.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 -99.66 123.97 44.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.0 t -93.22 135.86 34.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 90.6 p -74.42 -54.57 7.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.826 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -56.52 -43.13 79.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.956 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.446 ' O ' ' CG ' ' A' ' 24' ' ' ASN . 39.5 mtt-85 -85.36 -18.6 33.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.446 ' CG ' ' O ' ' A' ' 23' ' ' ARG . 6.8 p-10 46.23 40.65 7.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.1 mttt -123.93 141.87 51.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 48.1 tp -99.07 112.91 24.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.97 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.9 mp -103.53 129.5 55.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 50.8 t -133.99 112.75 16.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 43.3 t -97.23 140.58 17.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.6 t -114.76 77.61 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.13 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -44.16 -73.07 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -174.64 163.09 3.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.8 m -114.39 154.39 28.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -141.6 165.95 26.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 55.26 42.9 29.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 37.7 mt -98.14 87.72 4.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.663 HD12 ' C ' ' A' ' 37' ' ' ILE . 1.8 pp -45.96 151.39 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -116.23 127.59 54.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -48.57 -24.54 1.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.6 t -145.53 118.67 8.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 42' ' ' ASP . 11.2 pt-20 -39.09 -45.13 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 41' ' ' GLU . 8.1 t70 -35.69 -50.43 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 158.62 148.47 5.19 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.517 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.3 p -131.97 155.9 47.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.908 0.385 . . . . 0.0 110.845 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.92 80.85 1.36 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.634 0.731 . . . . 0.0 110.851 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 144.7 55.0 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.665 2.243 . . . . 0.0 112.398 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.449 ' CB ' HG22 ' A' ' 66' ' ' VAL . 2.7 p90 -157.99 133.87 9.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.754 HG22 HG22 ' A' ' 97' ' ' VAL . 77.1 t -85.47 143.46 11.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.118 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 19.0 ttm180 -125.96 131.5 52.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 58.0 mtm -116.17 137.52 52.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -152.29 113.38 4.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.3 tp -73.15 93.45 1.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.545 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 72.8 mt -65.32 152.36 92.09 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.609 0.719 . . . . 0.0 110.918 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.5 Cg_endo -69.76 -34.96 2.87 Favored 'Cis proline' 0 C--N 1.341 0.152 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.345 -0.146 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 54' ' ' PRO . 2.3 m-20 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.44 ' HB3' ' CD2' ' A' ' 79' ' ' PHE . 66.4 mmt-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.882 0.372 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt -130.72 170.39 14.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 41.6 p -96.32 160.02 14.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 63.9 m-70 -53.04 167.84 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.873 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.449 HG22 ' CB ' ' A' ' 47' ' ' TYR . 95.4 t -110.18 109.43 28.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.502 ' OG ' HG23 ' A' ' 70' ' ' THR . 11.8 p -72.82 148.13 44.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 17.4 mtpt -121.21 140.66 51.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.943 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? 56.63 50.61 12.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.502 HG23 ' OG ' ' A' ' 67' ' ' SER . 4.3 t -163.38 142.8 8.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.153 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 72.3 mt -98.59 -31.11 12.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -108.89 81.65 1.57 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.628 0.728 . . . . 0.0 110.871 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.559 ' HB2' ' CZ ' ' A' ' 75' ' ' PHE . 53.5 Cg_endo -69.76 146.34 59.87 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.677 2.251 . . . . 0.0 112.376 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 63.1 t -131.03 115.71 30.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.559 ' CZ ' ' HB2' ' A' ' 73' ' ' PRO . 1.4 m-85 -113.59 -38.12 4.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.8 t70 46.91 35.35 3.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -89.99 161.16 16.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.97 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 27.9 t -130.51 118.18 20.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.839 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.44 ' CD2' ' HB3' ' A' ' 62' ' ' ARG . 15.4 m-85 -103.26 160.37 14.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -140.87 152.49 45.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.462 ' O ' HG12 ' A' ' 83' ' ' VAL . 4.9 m-85 -149.37 118.25 6.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 42.7 p -68.75 91.07 0.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.846 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.462 HG12 ' O ' ' A' ' 81' ' ' PHE . 2.0 p -143.28 136.34 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.109 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.439 ' C ' ' HD2' ' A' ' 86' ' ' PRO . 4.1 m -75.09 139.25 42.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.59 ' HA ' HG12 ' A' ' 88' ' ' VAL . 2.0 tp -46.25 -47.53 45.34 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.625 0.726 . . . . 0.0 110.884 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.554 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 65.3 Cg_exo -47.99 -30.81 14.56 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.735 2.29 . . . . 0.0 112.31 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -91.44 -43.45 9.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.904 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.59 HG12 ' HA ' ' A' ' 85' ' ' LEU . 1.0 OUTLIER -64.81 -19.79 26.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.156 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.581 ' HG3' HD12 ' A' ' 85' ' ' LEU . 80.1 mt-30 -64.87 -55.95 16.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -73.82 -7.06 50.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -95.27 173.54 7.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.539 ' CG2' HD12 ' A' ' 115' ' ' LEU . 62.2 m -143.65 146.05 32.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.5 tp -91.21 104.18 16.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -74.35 100.2 3.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.792 HG11 HD11 ' A' ' 15' ' ' LEU . 21.6 t -111.32 100.88 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -116.99 124.84 50.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.754 HG22 HG22 ' A' ' 48' ' ' VAL . 53.8 t -104.72 117.84 51.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.59 -176.5 5.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.943 179.921 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.53 HD11 ' HB3' ' A' ' 113' ' ' LYS . 5.1 tp . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.85 0.357 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.52 ' O ' HD22 ' A' ' 10' ' ' LEU . 42.4 mt -88.35 -31.04 19.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -178.23 148.0 8.28 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.519 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.53 ' HB3' HD11 ' A' ' 110' ' ' LEU . 7.9 ptmm? -151.02 147.92 27.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.797 0.332 . . . . 0.0 110.94 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 12.1 p -147.84 129.04 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.124 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.539 HD12 ' CG2' ' A' ' 92' ' ' THR . 4.5 mm? -93.67 144.24 25.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.486 HG11 HD12 ' A' ' 17' ' ' ILE . 95.5 t -124.67 118.95 54.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.081 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -77.92 108.16 10.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.466 ' CD1' HG22 ' A' ' 88' ' ' VAL . 5.9 mt -84.21 24.88 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -84.47 24.22 1.02 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.054 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 46.2 t -85.72 178.87 7.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.855 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -124.15 -21.19 5.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -83.23 17.46 2.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 9.6 mt -59.67 -47.82 84.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -45.14 -33.75 2.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.11 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 11.5 mmmt -83.73 -29.66 27.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 73.82 150.9 1.85 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.517 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 21.4 p90 -148.22 165.69 30.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.787 0.327 . . . . 0.0 110.939 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 93.2 m -135.44 130.19 34.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.115 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -161.21 156.12 23.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' TRP . . . . . 0.489 ' CE2' ' HB2' ' A' ' 14' ' ' GLN . 86.5 m95 -89.56 116.23 27.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -88.66 99.66 12.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.949 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -54.42 125.12 18.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 28.8 mt -73.68 141.97 46.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.452 ' C ' ' CD1' ' A' ' 10' ' ' LEU . 82.4 p -125.34 -179.67 4.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.168 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -79.81 173.7 12.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.467 ' CB ' ' HG3' ' A' ' 12' ' ' GLN . 20.3 m . . . . . 0 C--O 1.231 0.086 0 CA-C-O 121.677 0.751 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -21.07 34.13 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.666 2.244 . . . . 0.0 112.339 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.684 HD12 ' HA ' ' A' ' 134' ' ' THR . 92.3 mt -93.5 -47.94 6.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 155.4 163.49 12.18 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.498 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.467 ' HG3' ' CB ' ' A' ' 8' ' ' SER . 23.0 mt-30 -125.25 166.7 16.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.762 0.315 . . . . 0.0 110.944 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.41 HG23 ' O ' ' A' ' 13' ' ' ILE . 18.6 tt -159.03 128.92 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.525 ' NE2' ' NE1' ' A' ' 130' ' ' TRP . 29.9 tt0 -102.11 123.19 45.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.658 HD11 HG11 ' A' ' 95' ' ' VAL . 6.2 mt -136.39 139.67 42.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 88.9 m -103.75 104.61 14.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.556 ' CD1' HG11 ' A' ' 116' ' ' VAL . 25.0 mt -98.8 116.47 41.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 36.6 ttt180 -147.64 106.31 3.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.452 ' CE1' ' HB2' ' A' ' 85' ' ' LEU . 11.4 t-80 -98.4 117.23 32.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.829 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 24' ' ' ASN . 5.1 t -83.51 125.47 31.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.43 ' O ' ' ND2' ' A' ' 24' ' ' ASN . 35.9 t -66.28 -53.73 33.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -50.26 -51.14 47.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.963 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.7 mtm180 -82.23 -21.44 36.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.493 ' N ' ' O ' ' A' ' 20' ' ' SER . 0.9 OUTLIER 54.58 53.98 9.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.894 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.8 mttt -135.64 153.08 51.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.9 tp -110.99 105.97 14.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.1 mp -97.07 130.63 45.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 28.8 t -132.28 116.25 28.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.108 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.3 t -102.14 131.03 51.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.119 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 20.3 t -105.91 77.88 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.153 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -41.11 -74.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -174.98 161.6 2.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.608 ' HB3' HD11 ' A' ' 36' ' ' LEU . 71.9 m -107.46 160.69 15.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -153.23 160.9 42.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 61.0 m-20 57.52 45.02 20.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.608 HD11 ' HB3' ' A' ' 33' ' ' CYS . 74.3 mt -98.63 86.94 3.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.652 ' O ' HD12 ' A' ' 37' ' ' ILE . 2.3 pp -48.39 132.92 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.15 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.452 ' HB2' ' CD2' ' A' ' 71' ' ' LEU . . . -93.83 132.17 38.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.154 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -54.66 -23.08 15.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 41' ' ' GLU . 8.2 t -147.79 117.92 7.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 42' ' ' ASP . 31.9 mp0 -37.1 -45.56 0.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 41' ' ' GLU . 15.1 t70 -35.06 -50.42 0.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.834 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 147.57 137.07 2.88 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.524 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 53.6 m -122.21 167.58 13.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.859 0.362 . . . . 0.0 110.84 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.89 82.84 7.06 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.613 0.72 . . . . 0.0 110.896 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 144.06 52.81 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.688 2.259 . . . . 0.0 112.348 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.429 ' CB ' HG22 ' A' ' 66' ' ' VAL . 18.9 p90 -157.25 152.18 25.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.477 HG12 ' N ' ' A' ' 49' ' ' ARG . 79.6 t -99.74 156.83 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.14 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.477 ' N ' HG12 ' A' ' 48' ' ' VAL . 4.9 tpt180 -141.28 134.43 29.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.411 ' O ' ' CD1' ' A' ' 51' ' ' TYR . 48.4 mtm -119.57 139.12 52.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.411 ' CD1' ' O ' ' A' ' 50' ' ' MET . 11.6 m-85 -151.13 120.75 6.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.939 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.1 tp -79.08 93.27 5.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.53 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 54.3 mt -73.49 151.95 89.63 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.571 0.7 . . . . 0.0 110.909 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.5 Cg_endo -69.81 -32.47 3.92 Favored 'Cis proline' 0 C--O 1.231 0.174 0 C-N-CA 122.709 -1.788 . . . . 0.0 112.336 -0.08 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 54' ' ' PRO . 11.8 m-20 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.3 mmp_? . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.884 0.373 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.2 ptpp? -138.49 166.43 24.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 40.8 p -98.12 176.58 5.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 -62.53 156.08 24.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.429 HG22 ' CB ' ' A' ' 47' ' ' TYR . 45.0 t -106.82 100.75 11.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 67.0 m -74.95 146.64 41.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.8 mttm -123.13 156.55 34.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.892 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.8 mmtp 56.67 44.24 24.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.3 t -163.74 166.4 22.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.146 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.452 ' CD2' ' HB2' ' A' ' 38' ' ' ALA . 56.9 mt -121.2 -26.53 5.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -110.38 77.05 1.16 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.6 0.714 . . . . 0.0 110.869 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.411 ' HB2' ' CZ ' ' A' ' 75' ' ' PHE . 54.0 Cg_endo -69.74 144.63 54.75 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.743 2.296 . . . . 0.0 112.355 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 91.2 t -125.76 120.79 58.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.411 ' CZ ' ' HB2' ' A' ' 73' ' ' PRO . 4.6 m-85 -114.31 -49.4 2.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.1 t70 53.82 39.93 30.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -96.12 161.01 14.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.4 t -130.45 110.87 11.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.858 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.409 ' CD1' ' N ' ' A' ' 79' ' ' PHE . 7.6 m-85 -99.78 159.88 14.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.412 ' O ' ' CD1' ' A' ' 81' ' ' PHE . 0.1 OUTLIER -143.42 156.86 44.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.865 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.412 ' CD1' ' O ' ' A' ' 80' ' ' ASP . 9.2 m-85 -149.97 136.98 19.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 40.0 p -85.76 90.3 8.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.4 p -143.77 137.85 24.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.099 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.437 ' C ' ' HD2' ' A' ' 86' ' ' PRO . 3.3 m -73.82 135.49 43.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.849 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.537 ' HA ' HG12 ' A' ' 88' ' ' VAL . 1.1 tp -43.72 -48.85 20.28 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.632 0.73 . . . . 0.0 110.942 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.529 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 64.9 Cg_exo -47.97 -34.22 22.2 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.691 2.261 . . . . 0.0 112.378 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.63 -50.42 8.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.831 HG22 HD12 ' A' ' 118' ' ' LEU . 1.4 p -64.68 -14.38 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.176 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.547 ' O ' ' HB2' ' A' ' 119' ' ' ALA . 8.0 mt-30 -65.86 -59.09 4.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.08 4.38 6.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.856 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 48.6 mtt-85 -98.04 172.88 7.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 38.8 m -137.71 133.65 34.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.157 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.49 ' HB2' HD21 ' A' ' 118' ' ' LEU . 5.7 tp -83.7 100.69 11.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.578 ' OD1' HD11 ' A' ' 115' ' ' LEU . 15.7 t70 -73.45 97.58 2.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.658 HG11 HD11 ' A' ' 15' ' ' LEU . 19.4 t -109.13 103.25 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.409 ' HB1' ' HD2' ' A' ' 98' ' ' LYS . . . -125.34 125.09 42.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.442 HG22 HG22 ' A' ' 48' ' ' VAL . 21.8 t -102.66 105.37 18.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.542 ' HG3' HD12 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -119.59 -178.65 3.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 179.873 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.512 HD22 HD21 ' A' ' 111' ' ' LEU . 9.6 p30 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.542 HD12 ' HG3' ' A' ' 98' ' ' LYS . 5.3 tp . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.794 0.331 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.512 HD21 HD22 ' A' ' 99' ' ' ASN . 69.2 mt -67.23 -54.41 21.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -170.13 144.11 8.26 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.489 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.505 ' HB3' HD11 ' A' ' 110' ' ' LEU . 17.8 ptmt -143.7 155.16 44.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 0.0 110.877 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 9.9 p -152.73 138.26 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.578 HD11 ' OD1' ' A' ' 94' ' ' ASP . 3.1 mm? -103.75 138.55 40.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.556 HG11 ' CD1' ' A' ' 17' ' ' ILE . 97.8 t -121.41 122.18 66.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.178 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -81.58 112.36 18.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.084 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.831 HD12 HG22 ' A' ' 88' ' ' VAL . 2.5 mt -89.51 20.57 3.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.933 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.547 ' HB2' ' O ' ' A' ' 89' ' ' GLN . . . -83.65 10.94 8.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.09 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.2 m -71.59 166.95 20.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -108.06 -3.83 18.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -106.66 47.98 0.86 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 14.4 mt -89.56 -52.8 4.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -37.17 -36.32 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 35.7 mttp -81.84 -45.85 14.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 90.22 154.8 30.35 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 26.9 p90 -146.37 156.3 43.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.837 0.351 . . . . 0.0 110.943 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 86.4 m -128.11 127.92 43.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.146 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -161.6 167.27 25.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' TRP . . . . . 0.525 ' NE1' ' NE2' ' A' ' 14' ' ' GLN . 84.0 m95 -98.4 123.12 42.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.956 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -96.1 103.65 15.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.921 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -64.41 117.18 6.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 55.0 mt -64.61 153.85 38.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.684 ' HA ' HD12 ' A' ' 10' ' ' LEU . 72.7 p -140.47 177.37 8.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.448 ' HG3' HD11 ' A' ' 10' ' ' LEU . 44.6 mt-10 -75.59 164.96 25.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.831 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 87.0 p . . . . . 0 C--O 1.231 0.085 0 CA-C-O 121.645 0.736 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -21.62 33.36 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.688 2.259 . . . . 0.0 112.335 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.578 HD22 ' O ' ' A' ' 111' ' ' LEU . 92.4 mt -92.1 -28.31 17.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.944 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 127.83 172.42 13.22 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -125.56 174.85 7.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.756 0.312 . . . . 0.0 110.927 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.535 HD12 ' SG ' ' A' ' 33' ' ' CYS . 7.0 tt -167.95 130.51 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.135 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -101.74 129.61 47.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.945 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.977 HD11 HG11 ' A' ' 95' ' ' VAL . 42.1 mt -134.63 123.81 24.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.6 m -87.84 103.57 15.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.563 ' CD1' HG11 ' A' ' 116' ' ' VAL . 33.5 mt -98.28 120.11 47.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 35.8 ttt180 -149.16 108.71 3.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 25.5 t-80 -102.65 113.83 27.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.2 t -79.81 127.65 32.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 77.5 p -69.73 -45.56 67.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -60.32 -50.24 74.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 34.9 mtt180 -77.77 -28.79 50.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 60.69 51.0 5.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -134.45 155.12 50.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 37.1 tp -109.5 106.32 16.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.3 mp -100.62 133.11 44.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.121 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.2 t -134.28 111.81 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.2 t -96.8 124.76 49.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.152 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.584 HG22 ' CD2' ' A' ' 15' ' ' LEU . 62.7 t -100.89 85.28 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.136 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -48.55 -75.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -174.15 160.72 3.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.535 ' SG ' HD12 ' A' ' 13' ' ' ILE . 87.1 m -109.45 158.38 18.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -146.5 162.57 38.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 59.19 42.91 17.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 66.2 mt -96.18 88.58 4.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.748 HD11 HD22 ' A' ' 111' ' ' LEU . 2.6 pp -42.93 149.19 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.117 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.646 ' HB2' HD21 ' A' ' 71' ' ' LEU . . . -111.87 112.74 24.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.166 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -42.46 -32.63 0.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 41' ' ' GLU . 8.8 t -142.41 116.81 9.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 42' ' ' ASP . 7.7 tp10 -35.76 -44.58 0.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 41' ' ' GLU . 0.6 OUTLIER -35.29 -49.49 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 148.19 149.79 5.05 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.499 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.2 p -132.33 166.01 22.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.904 0.383 . . . . 0.0 110.861 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -115.02 81.82 8.04 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.574 0.702 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 139.78 40.88 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.697 2.265 . . . . 0.0 112.359 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -150.39 136.98 18.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.499 HG23 ' CZ ' ' A' ' 75' ' ' PHE . 44.0 t -87.2 136.76 22.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.15 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.522 ' HD2' ' CE1' ' A' ' 51' ' ' TYR . 36.2 ttp180 -121.93 144.46 48.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.817 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.454 ' HE1' ' CD1' ' A' ' 79' ' ' PHE . 42.8 mtm -129.37 125.65 37.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.522 ' CE1' ' HD2' ' A' ' 49' ' ' ARG . 3.8 m-85 -128.15 133.52 48.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 52' ' ' LEU . 9.5 tp -89.94 91.5 8.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.534 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 2.1 mm? -79.46 154.06 76.44 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.592 0.711 . . . . 0.0 110.931 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.8 Cg_endo -69.77 -29.42 5.72 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.694 -1.794 . . . . 0.0 112.334 -0.079 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 54' ' ' PRO . 11.0 m-20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.869 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.883 0.373 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.2 pttm -144.0 169.79 17.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.482 HG22 ' HZ ' ' A' ' 79' ' ' PHE . 68.2 p -98.13 174.22 6.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -58.46 156.09 10.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 67.4 t -99.22 104.65 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.185 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 33.8 m -78.83 145.45 34.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.4 mttt -121.71 158.32 29.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 23.4 mmtm 48.27 50.05 16.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.9 t -165.19 139.79 5.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.646 HD21 ' HB2' ' A' ' 38' ' ' ALA . 53.9 mt -96.32 -30.69 13.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 -110.11 81.66 2.25 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.604 0.716 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 139.66 40.92 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.731 2.287 . . . . 0.0 112.361 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.3 t -120.67 105.66 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.136 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.499 ' CZ ' HG23 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -96.37 -51.08 4.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.3 t70 54.2 29.29 10.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -92.43 159.65 15.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.852 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.9 t -128.96 123.01 31.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.482 ' HZ ' HG22 ' A' ' 64' ' ' THR . 25.1 m-85 -105.33 175.03 5.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -154.56 153.41 31.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.401 ' O ' HG12 ' A' ' 83' ' ' VAL . 5.8 m-85 -150.65 117.59 5.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 35.4 p -68.02 91.79 0.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.401 HG12 ' O ' ' A' ' 81' ' ' PHE . 3.1 p -143.69 134.89 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.125 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.449 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 1.2 m -73.85 147.02 43.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.597 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 4.2 tp -51.39 -45.19 90.08 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.566 0.698 . . . . 0.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 65.1 Cg_exo -47.96 -39.45 32.53 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.694 2.263 . . . . 0.0 112.302 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -81.84 -58.86 2.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.611 HG22 HD12 ' A' ' 118' ' ' LEU . 1.4 p -51.0 -25.57 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.133 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.46 ' HG3' HD12 ' A' ' 85' ' ' LEU . 54.4 mt-30 -59.94 -47.16 86.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.0 ptp180 -81.77 -14.53 56.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 86.1 mtt-85 -82.36 177.99 8.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.0 m -146.28 143.08 28.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.3 tp -93.36 94.92 9.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.855 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.461 ' HB2' ' CD2' ' A' ' 53' ' ' LEU . 67.3 t0 -76.27 101.64 5.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.845 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.977 HG11 HD11 ' A' ' 15' ' ' LEU . 5.2 t -106.36 118.27 53.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.141 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.524 ' HB1' ' HD2' ' A' ' 98' ' ' LYS . . . -135.83 125.42 25.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 38.8 t -103.91 108.78 25.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.093 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.524 ' HD2' ' HB1' ' A' ' 96' ' ' ALA . 0.0 OUTLIER -126.36 -178.71 4.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.896 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 4.2 p30 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.49 HD12 ' HG3' ' A' ' 98' ' ' LYS . 8.8 tp . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.835 0.35 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.748 HD22 HD11 ' A' ' 37' ' ' ILE . 90.4 mt -83.32 -44.74 14.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.407 ' C ' HD22 ' A' ' 133' ' ' LEU . . . -176.83 147.52 8.46 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.503 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -146.24 152.1 38.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.727 HG21 ' HB3' ' A' ' 131' ' ' TYR . 7.8 p -144.81 127.64 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.524 HD22 ' N ' ' A' ' 115' ' ' LEU . 3.1 mm? -89.67 153.37 20.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.563 HG11 ' CD1' ' A' ' 17' ' ' ILE . 54.6 t -136.87 132.0 47.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -91.88 116.14 28.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.611 HD12 HG22 ' A' ' 88' ' ' VAL . 6.6 mt -93.62 22.86 5.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' A' ' 89' ' ' GLN . . . -90.82 25.32 2.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.9 m -87.78 -179.32 6.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -118.88 -10.23 9.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -97.88 47.55 1.01 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 124' ' ' ALA . 15.2 mt -91.8 -57.5 2.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 123' ' ' LEU . . . -34.06 -36.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.068 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 123' ' ' LEU . 0.1 OUTLIER -80.53 -50.19 10.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.899 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 96.99 150.55 26.96 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.492 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . 0.414 ' CZ3' HD23 ' A' ' 123' ' ' LEU . 23.5 p90 -143.81 165.05 28.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.848 0.356 . . . . 0.0 110.944 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 85.3 m -139.92 123.99 17.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.145 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.581 ' CD ' ' CE1' ' A' ' 131' ' ' TYR . 8.4 pt20 -151.46 157.63 42.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' TRP . . . . . . . . . . . . . 62.9 m95 -92.01 110.85 22.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.933 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . 0.727 ' HB3' HG21 ' A' ' 114' ' ' VAL . 49.4 m-85 -88.62 106.58 18.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.926 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 30.0 p-10 -67.49 118.36 10.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.407 HD22 ' C ' ' A' ' 112' ' ' GLY . 18.0 mt -62.61 133.83 55.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 58.6 p -122.68 176.59 5.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -71.4 163.27 28.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 179.991 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.706 0.765 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -23.49 30.73 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.704 2.27 . . . . 0.0 112.332 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.5 mt -87.0 -47.67 8.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 143.4 170.84 13.36 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.497 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -132.14 169.82 15.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.815 0.341 . . . . 0.0 110.918 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.463 HD12 ' SG ' ' A' ' 33' ' ' CYS . 7.2 tt -155.37 139.75 9.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.441 ' HB2' ' CE2' ' A' ' 130' ' ' TRP . 20.9 tt0 -103.61 124.94 49.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.956 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.699 HD11 HG11 ' A' ' 95' ' ' VAL . 73.7 mt -136.28 133.08 36.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.963 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.1 m -101.07 103.39 14.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.137 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.631 ' CD1' HG11 ' A' ' 116' ' ' VAL . 23.1 mt -99.48 122.8 51.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -153.83 110.99 3.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 24.1 t-80 -100.27 114.57 28.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.4 t -76.62 123.77 26.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.831 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.8 p -76.44 -11.25 59.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -94.36 -30.85 14.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.951 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -100.77 -25.28 14.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.3 m120 64.01 50.35 2.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -136.36 153.18 51.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.959 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 39.7 tp -110.22 106.37 15.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.414 ' N ' HD12 ' A' ' 27' ' ' ILE . 5.0 mp -97.59 137.11 26.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.4 t -140.44 113.49 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.096 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.3 t -96.45 140.05 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.546 HG22 ' CD2' ' A' ' 15' ' ' LEU . 13.8 t -120.99 87.88 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.548 ' O ' HG23 ' A' ' 74' ' ' VAL . 93.9 m-70 -54.64 -73.45 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.513 ' HB2' HG23 ' A' ' 74' ' ' VAL . . . -174.71 158.62 2.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.463 ' SG ' HD12 ' A' ' 13' ' ' ILE . 96.7 m -105.91 152.57 23.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 33.1 ptt85 -140.02 164.56 29.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 65.6 m-20 59.06 39.98 22.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.2 mt -95.56 95.66 8.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.661 ' O ' HD12 ' A' ' 37' ' ' ILE . 2.6 pp -56.92 133.17 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -96.73 119.02 34.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -43.72 -33.32 1.21 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 38.7 t -138.96 122.44 17.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 42' ' ' ASP . 19.1 mt-10 -44.37 -40.53 5.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 41' ' ' GLU . 34.0 m-20 -36.39 -50.66 0.77 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 151.75 139.48 2.97 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.506 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.9 m -122.56 164.66 17.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.823 0.344 . . . . 0.0 110.895 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.431 ' HB3' ' CG1' ' A' ' 66' ' ' VAL . 1.2 m-20 -119.96 82.63 28.94 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.632 0.73 . . . . 0.0 110.894 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 138.39 37.78 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.667 2.245 . . . . 0.0 112.381 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.707 ' HB3' HG22 ' A' ' 66' ' ' VAL . 23.6 p90 -147.93 134.33 19.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.969 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.5 t -95.39 130.04 44.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.134 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.471 ' HG3' ' CE2' ' A' ' 47' ' ' TYR . 31.3 mtm180 -120.7 136.88 54.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 60.3 mtm -118.56 130.68 56.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.855 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -135.56 114.48 12.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.7 tp -72.7 80.77 1.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.939 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.546 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 83.8 mt -61.31 152.14 73.88 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.643 0.735 . . . . 0.0 110.88 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 54.0 Cg_endo -69.76 -45.1 0.44 Allowed 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.669 -1.805 . . . . 0.0 112.34 -0.15 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.901 0.381 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.451 ' CB ' ' HG2' ' A' ' 49' ' ' ARG . 8.5 ptmm? -144.24 170.92 15.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.571 HG22 ' HZ ' ' A' ' 79' ' ' PHE . 29.3 p -103.83 166.29 10.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.213 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 15.3 t60 -52.66 160.21 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.887 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.707 HG22 ' HB3' ' A' ' 47' ' ' TYR . 46.6 t -104.56 99.95 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.087 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 73.5 m -71.94 137.58 47.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 56.9 mttt -117.05 147.42 42.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.447 ' N ' ' HD3' ' A' ' 69' ' ' LYS . 0.0 OUTLIER 61.42 52.46 3.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.831 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.6 t -169.73 138.05 1.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.168 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 89.3 mt -94.93 -22.83 17.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.934 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -113.02 78.72 3.15 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.63 0.728 . . . . 0.0 110.868 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 130.93 20.24 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.679 2.253 . . . . 0.0 112.342 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 31' ' ' HIS . 4.8 p -127.16 121.12 57.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.101 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -112.78 -25.05 9.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 43.5 t0 41.91 33.75 0.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -95.79 160.0 14.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.3 t -131.03 122.9 27.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.571 ' HZ ' HG22 ' A' ' 64' ' ' THR . 3.9 m-85 -103.56 169.32 8.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -153.19 147.17 25.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -142.84 120.69 11.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 36.6 p -68.42 90.08 0.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 6.9 p -143.84 132.07 18.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.109 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.444 ' C ' ' HD2' ' A' ' 86' ' ' PRO . 1.3 m -73.67 144.69 45.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.646 ' HA ' HG12 ' A' ' 88' ' ' VAL . 4.5 tp -51.73 -44.83 91.45 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.604 0.716 . . . . 0.0 110.931 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 65.1 Cg_exo -47.95 -31.76 16.43 Favored 'Trans proline' 0 N--CA 1.466 -0.138 0 C-N-CA 122.687 2.258 . . . . 0.0 112.363 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -93.27 -54.59 3.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.646 HG12 ' HA ' ' A' ' 85' ' ' LEU . 1.7 p -50.28 -36.7 13.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.553 ' O ' ' HB2' ' A' ' 119' ' ' ALA . 27.5 mt-30 -47.3 -42.83 21.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.947 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -78.92 -32.78 45.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -66.18 -178.1 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.2 m -152.92 137.56 16.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.7 tp -83.14 107.45 15.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.969 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.406 ' OD1' ' C ' ' A' ' 94' ' ' ASP . 47.4 t0 -84.26 98.52 10.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.699 HG11 HD11 ' A' ' 15' ' ' LEU . 5.7 t -107.8 111.27 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.158 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -131.25 122.23 26.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.127 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 26.6 t -106.69 114.81 46.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.142 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.455 ' N ' ' HD3' ' A' ' 98' ' ' LYS . 0.1 OUTLIER -144.44 173.34 11.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.911 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 99' ' ' ASN . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.425 HD12 ' HD2' ' A' ' 98' ' ' LYS . 21.8 tp . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.81 0.338 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 13.8 mt -86.49 -45.21 11.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.684 ' O ' HD22 ' A' ' 133' ' ' LEU . . . -171.77 130.48 1.95 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.46 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt -131.68 153.76 49.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.816 0.341 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.451 HG21 ' HB3' ' A' ' 131' ' ' TYR . 13.5 p -147.37 132.45 11.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -95.87 154.71 17.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.631 HG11 ' CD1' ' A' ' 17' ' ' ILE . 88.0 t -138.44 117.03 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -80.96 112.32 18.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.144 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.617 HD12 HG22 ' A' ' 88' ' ' VAL . 9.4 mt -84.85 24.48 1.05 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.553 ' HB2' ' O ' ' A' ' 89' ' ' GLN . . . -88.05 23.26 2.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.106 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.423 ' O ' HD12 ' A' ' 123' ' ' LEU . 41.1 t -98.02 163.83 12.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 31.6 mp0 -97.15 -24.11 15.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -56.12 -21.22 21.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.423 HD12 ' O ' ' A' ' 120' ' ' SER . 7.9 mt -44.05 -46.12 8.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -40.79 -41.03 1.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 10.6 mtmm -91.04 -56.74 3.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 112.92 151.5 11.06 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 17.7 p90 -148.95 164.17 35.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.823 0.344 . . . . 0.0 110.944 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 85.3 m -142.91 127.63 18.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.184 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -157.48 159.04 36.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.927 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' TRP . . . . . 0.441 ' CE2' ' HB2' ' A' ' 14' ' ' GLN . 84.0 m95 -86.28 105.28 16.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . 0.451 ' HB3' HG21 ' A' ' 114' ' ' VAL . 24.4 m-85 -76.55 101.59 5.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -56.23 118.49 4.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.684 HD22 ' O ' ' A' ' 112' ' ' GLY . 67.5 mt -67.73 134.22 50.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 72.2 p -120.57 172.53 7.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.164 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -73.68 162.8 28.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.928 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 2.0 t70 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.962 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.5 p . . . . . 0 C--O 1.232 0.137 0 CA-C-O 121.615 0.722 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -18.07 37.16 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.692 2.262 . . . . 0.0 112.373 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 95.5 mt -96.45 -43.94 7.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 153.78 176.12 25.83 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.473 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -130.36 170.68 13.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.769 0.318 . . . . 0.0 110.906 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 18.2 tt -162.68 136.76 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -107.72 110.01 21.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.682 HD11 HG11 ' A' ' 95' ' ' VAL . 45.5 mt -122.99 135.57 54.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.4 m -102.92 108.27 19.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.154 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.564 HG21 HD22 ' A' ' 118' ' ' LEU . 20.6 mt -102.41 115.85 45.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.13 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 -148.47 115.76 6.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -97.51 112.73 24.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.486 ' O ' ' N ' ' A' ' 24' ' ' ASN . 30.7 t -74.21 126.35 30.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 61.3 p -71.88 -43.71 64.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -66.04 -38.65 88.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.7 mtt-85 -91.88 -20.6 21.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.486 ' N ' ' O ' ' A' ' 20' ' ' SER . 11.6 m120 51.81 51.69 16.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 47.4 mttt -137.28 150.88 48.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.575 HD13 HG21 ' A' ' 88' ' ' VAL . 16.6 tp -99.23 110.29 22.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.867 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.483 HD12 ' N ' ' A' ' 27' ' ' ILE . 4.0 mp -101.54 130.95 50.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.19 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 48.9 t -134.34 112.37 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.2 t -94.15 141.22 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.521 HG22 ' CD2' ' A' ' 15' ' ' LEU . 21.3 t -118.21 77.72 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.172 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -42.73 -74.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -175.03 161.35 2.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 85.4 m -109.17 164.79 12.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.847 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -163.72 151.84 13.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.0 m120 71.62 51.43 0.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.737 HD13 ' HB3' ' A' ' 46' ' ' PRO . 36.0 mt -102.4 86.7 2.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.632 ' O ' HD12 ' A' ' 37' ' ' ILE . 2.1 pp -38.74 132.47 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.594 ' HB3' ' HA ' ' A' ' 41' ' ' GLU . . . -86.49 142.21 28.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.086 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -53.03 -44.44 67.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.3 t -134.97 35.19 3.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.594 ' HA ' ' HB3' ' A' ' 38' ' ' ALA . 14.7 mt-10 39.68 32.7 0.1 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -111.99 -35.92 5.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 146.08 114.54 0.87 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.502 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.4 m -115.12 165.78 12.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.849 0.357 . . . . 0.0 110.877 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.42 86.7 3.61 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.602 0.715 . . . . 0.0 110.836 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.737 ' HB3' HD13 ' A' ' 36' ' ' LEU . 53.2 Cg_endo -69.79 142.17 47.09 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.653 2.235 . . . . 0.0 112.336 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 9.5 p90 -159.96 133.66 7.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.591 HG22 HG22 ' A' ' 97' ' ' VAL . 40.0 t -92.32 146.03 6.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 -137.49 138.75 40.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 59.9 mtm -116.08 140.61 49.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.439 ' O ' ' CD2' ' A' ' 53' ' ' LEU . 17.0 m-85 -145.55 113.62 6.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.4 tp -72.16 88.38 1.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.564 HD21 ' CB ' ' A' ' 94' ' ' ASP . 3.7 mm? -63.88 156.12 74.58 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.621 0.724 . . . . 0.0 110.889 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 54.0 Cg_endo -69.73 -35.15 2.8 Favored 'Cis proline' 0 C--N 1.342 0.212 0 C-N-CA 122.632 -1.82 . . . . 0.0 112.38 -0.213 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.854 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.464 ' HB3' ' CD2' ' A' ' 79' ' ' PHE . 23.6 mmt85 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.87 0.367 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -140.92 167.82 21.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.404 ' HB ' ' CG ' ' A' ' 75' ' ' PHE . 68.0 p -98.77 167.15 10.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.195 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -53.46 157.55 2.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.904 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 20.8 t -110.29 102.64 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.6 m -78.14 153.27 32.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.8 mtpt -122.99 146.03 47.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.65 53.58 8.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.3 t -163.71 137.46 5.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.109 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.554 ' O ' HD12 ' A' ' 36' ' ' LEU . 5.3 mp -92.58 -26.88 17.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -122.13 85.15 46.23 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.614 0.721 . . . . 0.0 110.91 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -175.03 1.03 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.712 2.274 . . . . 0.0 112.359 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.4 t -156.74 126.0 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.14 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.404 ' CG ' ' HB ' ' A' ' 64' ' ' THR . 11.7 m-85 -125.08 -50.68 1.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.889 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.8 t70 57.66 32.22 21.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -96.33 154.56 17.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.3 t -131.01 117.22 18.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.464 ' CD2' ' HB3' ' A' ' 62' ' ' ARG . 5.7 m-85 -101.84 167.76 9.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.868 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -149.33 156.23 41.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -145.54 124.62 12.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 62.9 p -70.31 91.03 0.72 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.7 p -143.44 141.82 25.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.109 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.463 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 1.6 m -80.83 147.7 30.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.607 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 8.0 tp -52.73 -44.53 95.82 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.637 0.732 . . . . 0.0 110.936 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.607 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 64.6 Cg_exo -47.95 -38.6 31.48 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.693 2.262 . . . . 0.0 112.344 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -84.4 -57.03 3.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.575 HG21 HD13 ' A' ' 26' ' ' LEU . 1.0 OUTLIER -49.78 -27.23 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.508 ' HG3' HD12 ' A' ' 85' ' ' LEU . 62.7 mt-30 -59.14 -49.74 76.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 25.1 mtp85 -78.75 -4.72 50.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 60.8 mtt-85 -97.44 171.2 8.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 32.6 m -139.4 150.06 44.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.132 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.6 tp -94.31 100.03 12.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.564 ' CB ' HD21 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -76.07 99.9 4.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.815 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.682 HG11 HD11 ' A' ' 15' ' ' LEU . 6.1 t -111.05 113.47 44.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -135.81 126.81 27.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.591 HG22 HG22 ' A' ' 48' ' ' VAL . 67.7 t -100.69 100.23 9.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.146 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.27 -176.47 3.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.426 ' HB3' HD11 ' A' ' 111' ' ' LEU . 14.4 p-10 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 21.9 tp . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.831 0.348 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.426 HD11 ' HB3' ' A' ' 99' ' ' ASN . 35.4 mt -78.56 -39.79 36.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.95 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.505 ' C ' HD22 ' A' ' 133' ' ' LEU . . . 175.57 149.77 7.58 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.504 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.512 ' N ' HD22 ' A' ' 133' ' ' LEU . 7.5 pttt -152.97 158.81 42.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.791 0.329 . . . . 0.0 110.93 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.532 HG11 ' HB3' ' A' ' 131' ' ' TYR . 7.7 p -149.75 141.42 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.131 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -103.97 144.65 31.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.503 HG11 ' CD1' ' A' ' 17' ' ' ILE . 87.5 t -130.13 122.98 55.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.114 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -81.76 113.05 19.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.564 HD22 HG21 ' A' ' 17' ' ' ILE . 18.4 mt -88.49 20.46 3.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -83.43 16.07 2.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.089 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.9 m -94.42 157.31 16.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -91.74 -27.43 18.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -50.91 -18.29 0.74 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 14.0 mt -48.71 -31.38 6.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -52.27 -35.93 51.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.079 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 31.4 mtpt -98.91 -48.38 4.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 105.4 154.53 21.93 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.482 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 16.8 p90 -146.58 155.8 42.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.85 0.357 . . . . 0.0 110.912 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 91.6 m -131.22 131.28 43.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -160.77 162.85 32.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.958 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' TRP . . . . . . . . . . . . . 75.9 m95 -92.47 105.57 17.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . 0.532 ' HB3' HG11 ' A' ' 114' ' ' VAL . 25.4 m-85 -74.58 103.46 4.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.937 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -63.0 116.58 5.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.512 HD22 ' N ' ' A' ' 113' ' ' LYS . 38.3 mt -62.69 138.47 58.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 25.4 p -130.56 -177.07 4.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -77.31 159.33 29.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.817 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.2 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.65 0.738 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -24.28 29.79 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.649 2.232 . . . . 0.0 112.373 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.657 HD22 ' O ' ' A' ' 111' ' ' LEU . 21.4 mt -79.74 -44.66 20.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 143.81 -157.02 26.92 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.479 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -154.7 166.61 32.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 0.0 110.947 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.458 HD11 HD21 ' A' ' 15' ' ' LEU . 9.9 tt -148.87 128.95 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.429 ' HB2' ' CE2' ' A' ' 130' ' ' TRP . 28.0 tt0 -99.08 115.12 28.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.458 HD21 HD11 ' A' ' 13' ' ' ILE . 5.2 mt -134.5 156.58 48.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 98.1 m -115.71 105.53 12.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.624 ' CD1' HG11 ' A' ' 116' ' ' VAL . 22.8 mt -98.75 116.02 40.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.095 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -148.38 116.67 6.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 -98.26 113.08 24.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 24' ' ' ASN . 25.2 t -78.69 126.53 30.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 26.6 p -70.17 -46.65 64.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -59.96 -48.54 81.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.7 -27.78 33.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 20' ' ' SER . 7.1 m120 58.89 47.67 12.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.5 mttm -133.44 155.98 48.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.802 HD21 HD13 ' A' ' 93' ' ' LEU . 15.1 tp -106.37 106.03 16.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.4 mp -95.68 121.86 46.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.132 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 38.6 t -123.84 111.11 27.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.5 t -95.07 146.39 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.7 t -126.17 96.08 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -65.3 -72.54 0.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -174.31 157.2 2.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.406 ' SG ' HD12 ' A' ' 13' ' ' ILE . 27.0 m -106.92 152.29 24.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.564 ' HD3' ' CH2' ' A' ' 130' ' ' TRP . 20.7 ptt85 -142.02 159.3 42.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.847 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 62.1 46.59 6.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 29.7 mt -101.88 96.34 6.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.822 ' O ' HD12 ' A' ' 37' ' ' ILE . 2.8 pp -59.27 125.95 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.61 124.5 34.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.115 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -47.24 -32.39 4.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 41' ' ' GLU . 28.7 m -136.3 114.22 11.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.825 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 40' ' ' SER . 28.0 mt-10 -37.5 -42.9 0.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.922 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 41' ' ' GLU . 19.1 t0 -36.74 -46.65 0.62 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.832 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 150.74 144.6 3.95 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 51.3 p -131.54 153.67 49.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.874 0.369 . . . . 0.0 110.861 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.08 82.9 1.61 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.611 0.72 . . . . 0.0 110.855 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 141.31 44.72 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.664 2.242 . . . . 0.0 112.347 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 12.8 p90 -151.24 139.1 19.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 50.6 t -85.2 146.02 7.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.158 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.3 ttt180 -127.11 133.28 50.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 60.2 mtm -125.24 129.13 49.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -140.33 138.74 35.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 52' ' ' LEU . 6.3 tp -93.26 87.96 5.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.977 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.533 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 2.5 mm? -66.98 154.62 92.03 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.579 0.704 . . . . 0.0 110.915 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.9 Cg_endo -69.78 -38.98 1.44 Allowed 'Cis proline' 0 C--N 1.341 0.153 0 C-N-CA 122.672 -1.804 . . . . 0.0 112.376 -0.129 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.3 t70 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.925 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.869 0.366 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -146.19 171.31 15.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 74.0 p -96.19 166.35 11.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -51.37 160.62 0.55 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 26.1 t -109.48 104.62 17.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.7 t -79.41 140.35 37.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.81 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 35.0 mttp -117.5 156.27 28.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.883 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.8 mmmt 56.19 45.85 22.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.6 t -161.64 146.62 13.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.158 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 70.5 mt -99.5 -34.6 10.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 18.3 p-10 -109.82 81.17 1.9 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.612 0.72 . . . . 0.0 110.899 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 142.85 49.03 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.731 2.287 . . . . 0.0 112.35 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.7 t -126.74 122.15 60.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -110.88 -62.63 1.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.9 t0 74.27 28.62 1.36 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -96.2 156.12 16.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 44.4 t -130.14 125.03 34.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.485 ' CD1' ' N ' ' A' ' 79' ' ' PHE . 2.2 m-85 -112.25 163.23 14.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -146.33 149.62 34.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -138.33 129.56 27.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 78.4 p -73.41 92.74 1.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.811 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.7 p -143.68 133.68 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.465 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 1.2 m -74.96 147.65 40.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.609 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 4.2 tp -52.86 -44.54 96.51 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.616 0.722 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 64.9 Cg_exo -48.02 -34.44 23.08 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.644 2.229 . . . . 0.0 112.357 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -90.48 -53.95 4.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.533 HG21 HD13 ' A' ' 26' ' ' LEU . 0.8 OUTLIER -49.32 -31.84 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.185 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.413 ' OE1' ' HA ' ' A' ' 86' ' ' PRO . 73.3 mt-30 -55.47 -54.99 37.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.969 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.485 ' CZ ' ' HB2' ' A' ' 90' ' ' ARG . 15.5 mtm105 -71.95 -26.02 62.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -78.24 168.44 19.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.9 m -135.6 151.22 50.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.145 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.802 HD13 HD21 ' A' ' 26' ' ' LEU . 5.4 tp -94.56 101.01 12.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.71 99.91 3.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 32.5 t -112.63 101.44 12.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.158 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -125.61 127.12 45.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 84.1 t -97.06 98.77 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.107 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -113.11 172.62 6.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.3 p30 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 179.965 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 27.8 tp . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.825 0.345 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.657 ' O ' HD22 ' A' ' 10' ' ' LEU . 27.4 mt -79.81 -33.14 40.66 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 175.76 141.22 3.71 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.465 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.3 ptmm? -137.76 152.94 49.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.811 0.338 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 7.2 p -148.13 126.4 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.16 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -96.0 146.61 24.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.624 HG11 ' CD1' ' A' ' 17' ' ' ILE . 78.3 t -129.52 108.72 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.23 107.54 1.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.12 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 9.2 mt -82.33 17.37 1.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -85.54 15.56 4.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.5 t -91.97 151.9 20.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.857 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -82.4 -23.57 34.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -56.26 -14.38 2.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 30.9 mt -58.56 -24.4 60.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -62.3 -25.22 67.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.09 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 52.7 mttm -107.9 -52.83 2.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 111.44 140.57 8.25 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.544 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 20.1 p90 -137.57 158.03 45.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.853 0.359 . . . . 0.0 110.899 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 89.0 m -138.79 129.36 26.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.514 ' OE1' ' N ' ' A' ' 130' ' ' TRP . 0.1 OUTLIER -162.15 162.78 28.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.943 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' TRP . . . . . 0.564 ' CH2' ' HD3' ' A' ' 34' ' ' ARG . 78.1 m95 -81.42 100.9 9.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . 0.461 ' CE1' ' HG3' ' A' ' 129' ' ' GLN . 20.4 m-85 -72.8 103.28 3.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -60.76 131.64 51.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.847 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 95.0 mt -80.32 157.91 26.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 4.7 p -145.91 170.61 16.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -75.82 165.45 24.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.949 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 45.6 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.678 0.751 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -33.67 16.05 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.676 2.251 . . . . 0.0 112.328 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.482 ' CD1' ' HA ' ' A' ' 134' ' ' THR . 15.3 mt -75.52 -51.28 13.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.894 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.479 ' CA ' ' O ' ' A' ' 35' ' ' ASN . . . 144.35 173.34 15.65 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.492 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -125.46 167.21 15.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.824 0.345 . . . . 0.0 110.876 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.695 HD11 HD21 ' A' ' 15' ' ' LEU . 8.3 tt -154.88 133.09 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.192 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -101.85 121.6 42.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.727 HD11 HG11 ' A' ' 95' ' ' VAL . 30.3 mt -135.2 129.6 33.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.2 m -96.64 105.22 17.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.121 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.419 HG21 HD22 ' A' ' 118' ' ' LEU . 15.1 mt -98.79 124.27 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.16 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -154.02 109.08 3.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.504 ' CE1' ' HB2' ' A' ' 85' ' ' LEU . 19.0 t-80 -97.7 103.69 15.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.7 t -66.96 131.2 45.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 89.4 p -82.11 -6.61 59.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 12.8 tp60 -96.56 -39.76 9.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -93.91 -10.74 32.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.867 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 50.3 43.7 26.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.3 mttm -129.26 160.11 34.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 21.5 tp -114.92 107.86 15.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.3 mp -98.56 137.98 24.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.126 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.2 t -139.57 108.75 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.093 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 19.3 t -92.53 131.09 40.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.131 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.707 HG22 HD22 ' A' ' 15' ' ' LEU . 71.0 t -111.05 86.04 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.141 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.502 ' O ' HG23 ' A' ' 74' ' ' VAL . 90.5 m-70 -52.21 -71.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.638 ' HB2' HG23 ' A' ' 74' ' ' VAL . . . -174.93 161.77 3.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.081 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 68.0 m -108.05 169.24 8.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 34' ' ' ARG . 4.0 ptp180 -152.47 170.67 19.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.479 ' O ' ' CA ' ' A' ' 11' ' ' GLY . 2.3 m-80 46.81 47.93 15.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.0 mt -102.84 89.92 3.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.946 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.455 HD12 ' C ' ' A' ' 37' ' ' ILE . 2.6 pp -45.62 152.43 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -117.66 125.22 50.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.077 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -44.47 -32.57 1.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 41' ' ' GLU . 22.9 t -144.05 125.92 15.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 42' ' ' ASP . 21.6 tt0 -37.62 -45.58 0.78 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 41' ' ' GLU . 88.0 m-20 -34.77 -50.07 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 143.37 145.31 4.39 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.457 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.8 m -122.87 166.99 14.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.894 0.378 . . . . 0.0 110.855 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.29 82.24 2.59 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.599 0.714 . . . . 0.0 110.844 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 142.85 48.9 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.666 2.244 . . . . 0.0 112.345 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -156.7 136.19 12.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.416 HG12 ' N ' ' A' ' 49' ' ' ARG . 80.1 t -85.24 153.42 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.12 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.416 ' N ' HG12 ' A' ' 48' ' ' VAL . 21.6 ttt180 -135.63 134.1 38.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.402 ' HE1' ' CD1' ' A' ' 79' ' ' PHE . 66.2 mtm -125.43 118.66 26.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -131.28 113.73 14.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.9 tp -68.53 90.97 0.4 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.931 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.539 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 46.8 mt -69.84 151.71 96.24 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.605 0.716 . . . . 0.0 110.911 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 54.0 Cg_endo -69.79 -30.93 4.87 Favored 'Cis proline' 0 C--O 1.232 0.205 0 C-N-CA 122.664 -1.807 . . . . 0.0 112.339 -0.147 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 54' ' ' PRO . 3.1 t70 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.872 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 5.5 tpt85 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.895 0.379 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.4 pttt -141.5 171.25 14.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.675 HG22 ' CZ ' ' A' ' 79' ' ' PHE . 59.8 p -98.36 174.0 6.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.168 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -56.1 174.52 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.852 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 67.6 t -120.87 99.36 7.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 74.9 m -76.84 148.33 36.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -123.38 157.49 33.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.6 mptt 53.45 54.28 10.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.8 t -168.99 136.3 1.86 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.16 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 94.7 mt -91.51 -30.9 16.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.936 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -109.96 77.55 1.14 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.631 0.729 . . . . 0.0 110.941 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 147.28 62.28 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.7 2.267 . . . . 0.0 112.319 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.638 HG23 ' HB2' ' A' ' 32' ' ' ALA . 3.5 p -140.1 133.62 35.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.092 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -124.56 -30.37 3.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.7 t70 46.71 36.74 3.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.841 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -97.74 157.66 15.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.4 t -126.73 119.57 27.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.675 ' CZ ' HG22 ' A' ' 64' ' ' THR . 26.3 m-85 -100.38 170.05 8.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -147.95 150.17 33.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -145.94 126.39 14.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 57.6 p -72.01 92.19 1.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.819 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.3 p -143.49 133.55 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.48 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 1.8 m -75.78 147.89 38.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.961 HD11 ' NE2' ' A' ' 89' ' ' GLN . 0.3 OUTLIER -52.31 -44.66 94.02 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.641 0.734 . . . . 0.0 110.951 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.728 ' N ' HD13 ' A' ' 85' ' ' LEU . 66.1 Cg_exo -47.99 -40.56 33.29 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.683 2.255 . . . . 0.0 112.333 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 89' ' ' GLN . 0.2 OUTLIER -80.83 -64.05 1.27 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.533 HG22 HD12 ' A' ' 118' ' ' LEU . 1.8 p -40.56 -24.63 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.088 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.961 ' NE2' HD11 ' A' ' 85' ' ' LEU . 49.2 mt-30 -57.25 -44.68 84.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 -92.61 -23.98 18.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.437 ' HG3' ' HA ' ' A' ' 88' ' ' VAL . 13.3 mmp_? -59.34 167.04 1.99 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.9 m -136.66 130.46 32.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.168 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.4 tp -85.72 103.73 14.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.402 ' HB2' HD11 ' A' ' 53' ' ' LEU . 17.7 t0 -76.68 97.43 4.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.835 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.727 HG11 HD11 ' A' ' 15' ' ' LEU . 20.3 t -108.56 100.98 11.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -125.28 127.49 46.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.112 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 96.3 t -100.14 98.77 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -112.98 -177.27 3.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.8 p30 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.938 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 15.3 tp . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.847 0.356 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 76.0 mt -75.57 -45.72 36.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.456 ' C ' HD22 ' A' ' 133' ' ' LEU . . . -173.7 149.73 11.25 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.502 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -154.77 154.66 33.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.769 0.318 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 5.6 p -152.74 122.95 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.141 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.416 HD22 ' N ' ' A' ' 115' ' ' LEU . 3.8 mm? -88.19 146.63 25.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 59.5 t -133.22 129.3 56.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.13 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -90.78 114.54 26.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.533 HD12 HG22 ' A' ' 88' ' ' VAL . 10.0 mt -85.89 28.87 0.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.459 ' HB2' ' O ' ' A' ' 89' ' ' GLN . . . -84.43 29.51 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.087 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 41.4 m -96.44 167.54 11.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -105.97 -17.86 14.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -92.98 47.09 1.25 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.512 HD23 ' CZ3' ' A' ' 127' ' ' TRP . 12.7 mt -88.99 -51.98 5.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -41.39 -44.35 2.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 10.6 mtmm -67.72 -42.08 82.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 87.91 151.2 21.56 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.498 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . 0.512 ' CZ3' HD23 ' A' ' 123' ' ' LEU . 18.5 p90 -148.66 154.66 39.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.866 0.365 . . . . 0.0 110.882 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 87.4 m -122.83 137.35 54.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -168.09 155.8 8.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' TRP . . . . . . . . . . . . . 82.5 m95 -92.63 111.19 22.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -83.78 106.65 15.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -61.47 124.79 21.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.456 HD22 ' C ' ' A' ' 112' ' ' GLY . 48.2 mt -65.25 156.94 30.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.482 ' HA ' ' CD1' ' A' ' 10' ' ' LEU . 82.7 p -148.22 162.33 39.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.157 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -78.33 162.3 26.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.831 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 8.7 t0 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.904 179.924 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 55.4 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.718 0.771 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -20.09 35.29 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.742 2.295 . . . . 0.0 112.319 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.877 HD22 ' O ' ' A' ' 111' ' ' LEU . 24.4 mt -100.45 -34.45 9.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 134.19 -166.47 24.08 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.472 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.7 mp0 -140.39 -177.62 5.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.727 0.298 . . . . 0.0 110.916 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.655 HD12 ' SG ' ' A' ' 33' ' ' CYS . 5.5 tt -168.55 127.91 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.496 ' HB2' ' CE2' ' A' ' 130' ' ' TRP . 12.7 tt0 -101.25 125.75 47.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.826 HD11 HG11 ' A' ' 95' ' ' VAL . 19.3 mt -136.43 130.18 32.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.0 m -93.41 108.48 20.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.173 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 52.8 mt -100.86 119.77 49.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -149.32 109.03 4.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 -100.65 107.57 19.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.876 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.3 t -73.15 143.71 47.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.821 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.9 p -83.48 -45.71 13.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.842 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.421 ' CD ' ' O ' ' A' ' 22' ' ' GLN . 1.5 tm0? -60.77 -23.45 65.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -108.08 -24.89 11.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.1 m120 57.16 35.9 26.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.4 mttt -119.6 152.14 37.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.7 tp -104.83 104.83 14.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.2 mp -95.55 133.45 36.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.101 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.6 t -135.29 113.74 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.489 HG13 ' O ' ' A' ' 77' ' ' GLN . 13.1 t -98.02 127.33 50.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.446 HG22 HD22 ' A' ' 15' ' ' LEU . 24.9 t -101.04 85.58 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -48.3 -75.15 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -175.09 159.79 2.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.151 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.655 ' SG ' HD12 ' A' ' 13' ' ' ILE . 6.5 m -106.44 167.83 9.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.404 ' HB2' ' NH1' ' A' ' 34' ' ' ARG . 2.2 ptm85 -156.84 162.74 39.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 37.9 m-20 56.0 49.76 15.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.547 HD12 ' O ' ' A' ' 71' ' ' LEU . 85.3 mt -97.95 86.69 3.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.449 HD12 ' C ' ' A' ' 37' ' ' ILE . 2.0 pp -40.8 139.41 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.124 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.864 ' HB3' ' HA ' ' A' ' 41' ' ' GLU . . . -97.4 129.52 44.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.109 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -38.87 -41.77 0.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.5 t -132.09 29.24 4.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.864 ' HA ' ' HB3' ' A' ' 38' ' ' ALA . 17.5 mt-10 39.38 33.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -117.37 -38.11 3.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 151.77 108.57 0.39 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.482 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.4 m -112.44 177.81 4.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.9 0.381 . . . . 0.0 110.88 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 45' ' ' ASP . 0.1 OUTLIER -111.09 81.25 2.66 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.585 0.707 . . . . 0.0 110.902 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 137.95 36.8 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.717 2.278 . . . . 0.0 112.341 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.491 ' CB ' HG22 ' A' ' 66' ' ' VAL . 2.9 p90 -156.98 142.29 17.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.906 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.492 HG12 ' N ' ' A' ' 49' ' ' ARG . 40.0 t -89.4 157.91 2.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.147 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.492 ' N ' HG12 ' A' ' 48' ' ' VAL . 21.5 ttm180 -144.15 123.38 12.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.581 ' HE3' ' CD2' ' A' ' 79' ' ' PHE . 61.4 mtm -111.75 131.14 55.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -141.85 117.51 10.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 52' ' ' LEU . 6.0 tp -68.92 91.25 0.46 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.913 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.624 HD11 ' HB2' ' A' ' 94' ' ' ASP . 58.3 mt -71.73 151.41 93.39 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.631 0.729 . . . . 0.0 110.877 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 54.5 Cg_endo -69.7 -37.21 2.06 Favored 'Cis proline' 0 C--N 1.342 0.218 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.399 -0.189 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.459 ' C ' ' O ' ' A' ' 54' ' ' PRO . 86.3 m-20 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.845 0.355 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.7 ptpp? -141.71 171.3 14.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 70.4 p -96.24 173.13 7.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.196 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.47 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 9.3 m-70 -61.12 132.53 54.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.491 HG22 ' CB ' ' A' ' 47' ' ' TYR . 41.7 t -88.12 105.99 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 69.3 m -85.9 153.87 21.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.831 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.1 mttp -123.08 144.24 49.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.4 mptt 63.02 43.68 6.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.0 t -154.45 138.71 16.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.547 ' O ' HD12 ' A' ' 36' ' ' LEU . 2.0 mp -93.56 -36.29 12.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.947 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 35.9 p-10 -111.5 79.41 2.3 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.622 0.725 . . . . 0.0 110.888 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.587 ' HB2' ' CZ ' ' A' ' 75' ' ' PHE . 54.3 Cg_endo -69.73 145.06 56.17 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.675 2.25 . . . . 0.0 112.377 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.3 t -121.48 135.4 61.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.088 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.587 ' CZ ' ' HB2' ' A' ' 73' ' ' PRO . 7.9 m-85 -133.07 -37.59 0.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.0 t70 43.9 29.63 0.33 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.489 ' O ' HG13 ' A' ' 29' ' ' VAL . 6.1 tt0 -83.33 163.03 20.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.5 t -124.1 120.87 33.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.581 ' CD2' ' HE3' ' A' ' 50' ' ' MET . 1.9 m-85 -100.86 167.69 10.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -154.07 149.87 27.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -150.76 125.95 9.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 54.9 p -74.17 90.52 2.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.812 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.4 p -143.7 135.44 23.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.106 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.492 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 0.7 OUTLIER -75.24 149.02 38.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.855 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.611 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 7.5 tp -53.12 -44.29 96.79 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.619 0.723 . . . . 0.0 110.922 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 65.3 Cg_exo -48.07 -37.9 31.21 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.66 2.24 . . . . 0.0 112.342 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 89' ' ' GLN . 3.9 mp0 -81.71 -69.79 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.501 HG22 HD12 ' A' ' 118' ' ' LEU . 1.5 p -40.16 -27.33 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.089 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 87' ' ' GLU . 56.1 mt-30 -60.28 -52.0 67.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -84.37 7.21 20.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.835 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 32.6 mtp85 -110.09 165.45 11.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.408 HG23 ' O ' ' A' ' 116' ' ' VAL . 10.9 m -127.06 145.38 50.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.403 ' HB2' HD11 ' A' ' 118' ' ' LEU . 4.6 tp -90.59 110.06 21.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.624 ' HB2' HD11 ' A' ' 53' ' ' LEU . 8.0 t70 -77.67 105.48 8.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.826 HG11 HD11 ' A' ' 15' ' ' LEU . 15.4 t -119.93 102.91 13.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.108 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -123.47 132.3 53.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.078 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 60.3 t -113.13 104.79 17.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.98 172.59 12.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.41 ' OD1' ' C ' ' A' ' 99' ' ' ASN . 9.1 t30 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.7 tp . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.82 0.343 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.877 ' O ' HD22 ' A' ' 10' ' ' LEU . 16.6 mt -92.16 -44.13 8.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.615 ' C ' HD22 ' A' ' 133' ' ' LEU . . . -172.83 151.03 13.16 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.494 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.682 ' N ' HD22 ' A' ' 133' ' ' LEU . 10.0 ptmm? -150.22 161.0 43.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.806 0.336 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 14.3 p -159.15 130.99 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.528 HD22 ' N ' ' A' ' 115' ' ' LEU . 2.9 mm? -97.53 148.93 22.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.408 ' O ' HG23 ' A' ' 92' ' ' THR . 93.7 t -128.79 134.86 63.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.133 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -87.48 113.08 22.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.501 HD12 HG22 ' A' ' 88' ' ' VAL . 9.9 mt -89.94 21.98 3.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -86.97 28.65 0.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.045 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.1 m -91.3 172.95 8.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.85 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -110.17 -28.62 8.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -82.78 48.94 1.4 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.408 HD23 ' CZ3' ' A' ' 127' ' ' TRP . 12.6 mt -88.29 -48.13 7.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -46.35 -38.16 8.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.108 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 24.4 mttp -77.19 -37.24 53.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 82.46 154.37 14.55 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.464 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . 0.408 ' CZ3' HD23 ' A' ' 123' ' ' LEU . 17.2 p90 -148.15 158.6 44.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.84 0.352 . . . . 0.0 110.939 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 85.6 m -129.0 134.23 48.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.125 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -167.82 155.86 8.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' TRP . . . . . 0.496 ' CE2' ' HB2' ' A' ' 14' ' ' GLN . 68.3 m95 -90.31 121.43 32.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -92.48 102.59 15.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -56.32 120.74 8.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.682 HD22 ' N ' ' A' ' 113' ' ' LYS . 20.4 mt -67.39 153.11 44.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 35.3 p -144.5 170.23 16.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -76.28 158.5 31.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.427 ' CB ' ' HG3' ' A' ' 12' ' ' GLN . 64.9 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.618 0.723 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -25.11 28.77 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.676 2.251 . . . . 0.0 112.33 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.462 HD22 ' O ' ' A' ' 111' ' ' LEU . 95.6 mt -100.79 -34.39 9.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 141.6 -176.42 21.88 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.427 ' HG3' ' CB ' ' A' ' 8' ' ' SER . 35.8 mt-30 -141.16 158.45 43.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.78 0.324 . . . . 0.0 110.944 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.3 tt -148.62 131.23 6.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.084 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.506 ' HB2' ' CE2' ' A' ' 130' ' ' TRP . 24.0 tt0 -98.78 119.13 37.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.816 HD11 HG11 ' A' ' 95' ' ' VAL . 46.4 mt -134.2 130.35 37.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 46.4 m -97.81 110.64 23.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.595 ' CD1' HG11 ' A' ' 116' ' ' VAL . 26.2 mt -99.72 123.07 52.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.155 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -152.59 111.59 3.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.43 ' ND1' ' C ' ' A' ' 19' ' ' HIS . 3.9 t-80 -103.42 117.65 34.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.824 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 24' ' ' ASN . 9.7 t -84.55 124.93 31.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 60.9 p -69.65 -35.22 75.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.821 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -66.45 -48.73 69.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.943 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.453 ' C ' ' CG ' ' A' ' 24' ' ' ASN . 24.8 mtp180 -87.25 -14.24 41.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.453 ' CG ' ' C ' ' A' ' 23' ' ' ARG . 0.7 OUTLIER 48.8 52.64 13.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.82 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.411 ' HE3' ' NH2' ' A' ' 23' ' ' ARG . 30.3 mttt -137.08 145.79 44.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.411 HD13 HG21 ' A' ' 88' ' ' VAL . 14.7 tp -99.32 108.71 21.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.422 HD12 ' N ' ' A' ' 27' ' ' ILE . 3.9 mp -100.17 126.61 53.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 18.0 t -131.65 116.01 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.8 t -94.46 148.6 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.4 t -125.47 84.34 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.176 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -51.71 -73.62 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -172.83 167.39 5.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.452 ' CB ' HD11 ' A' ' 36' ' ' LEU . 71.6 m -114.59 154.43 28.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -143.77 165.08 28.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 52.03 48.67 22.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.452 HD11 ' CB ' ' A' ' 33' ' ' CYS . 76.3 mt -99.56 93.62 5.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.952 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.624 HD12 ' C ' ' A' ' 37' ' ' ILE . 1.9 pp -51.64 149.08 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -114.99 130.6 56.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.068 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -48.24 -28.2 2.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 35.4 t -147.19 129.37 15.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -43.94 -40.21 4.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -38.94 -40.52 0.66 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 136.18 162.63 9.6 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.448 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.1 m -149.16 172.09 15.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.865 0.364 . . . . 0.0 110.866 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.43 84.97 15.38 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.636 0.731 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 144.93 55.58 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.666 2.244 . . . . 0.0 112.395 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.533 ' HB3' HG23 ' A' ' 66' ' ' VAL . 14.0 p90 -156.29 142.8 18.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.623 HG22 HG22 ' A' ' 97' ' ' VAL . 46.3 t -98.71 140.73 17.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.127 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.406 ' HD2' ' CE1' ' A' ' 51' ' ' TYR . 56.1 ttp180 -123.18 160.96 25.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.423 ' HE1' ' CD1' ' A' ' 79' ' ' PHE . 51.2 mtm -142.78 120.84 12.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.406 ' CE1' ' HD2' ' A' ' 49' ' ' ARG . 3.5 m-85 -128.76 126.83 40.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 52' ' ' LEU . 12.6 tp -78.06 86.56 4.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.903 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.533 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 50.1 mt -67.74 155.46 91.42 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.606 0.717 . . . . 0.0 110.883 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.6 Cg_endo -69.76 -50.35 0.19 OUTLIER 'Cis proline' 0 C--O 1.232 0.184 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.343 -0.163 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 54' ' ' PRO . 3.2 m-20 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 47.8 mmt-85 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.863 0.363 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.2 ptmt -130.79 170.2 14.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 58.2 p -98.25 168.04 10.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.159 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -52.57 150.55 4.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.683 HG13 ' O ' ' A' ' 66' ' ' VAL . 10.4 p -111.55 99.53 8.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.096 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.4 m -73.95 152.65 40.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -120.89 161.82 20.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp 52.4 40.64 29.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.6 t -156.27 148.69 23.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.146 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 34.3 mt -105.67 -17.21 14.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -123.09 80.8 51.42 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.608 0.718 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 154.86 67.33 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.386 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 59.4 t -135.3 128.24 48.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.106 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -121.44 -64.06 1.26 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.9 t70 69.16 34.76 2.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.932 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -100.67 156.58 17.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.1 t -126.63 120.86 30.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.831 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.432 ' CD1' ' N ' ' A' ' 79' ' ' PHE . 3.3 m-85 -98.02 171.8 8.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -152.29 144.73 24.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.404 ' O ' HG12 ' A' ' 83' ' ' VAL . 7.2 m-85 -142.32 121.25 12.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 34.1 p -68.2 89.86 0.33 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.404 HG12 ' O ' ' A' ' 81' ' ' PHE . 2.8 p -143.7 136.13 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.435 ' C ' ' HD2' ' A' ' 86' ' ' PRO . 1.0 OUTLIER -74.77 144.18 43.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.855 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.566 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 3.2 tp -49.41 -46.28 77.74 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.606 0.717 . . . . 0.0 110.919 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.566 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 65.3 Cg_exo -47.96 -40.91 33.24 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.701 2.267 . . . . 0.0 112.333 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -79.69 -49.64 11.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.55 HG12 ' HA ' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -62.77 -16.87 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.449 ' O ' ' HB2' ' A' ' 119' ' ' ALA . 12.6 mt-30 -61.59 -54.33 44.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.942 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.12 -30.68 58.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 85.9 mtt-85 -65.74 172.6 3.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.7 m -141.9 144.58 33.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.0 tp -87.15 109.78 19.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.5 101.87 10.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.816 HG11 HD11 ' A' ' 15' ' ' LEU . 18.2 t -112.87 109.61 29.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -132.51 131.63 41.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.107 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.623 HG22 HG22 ' A' ' 48' ' ' VAL . 84.1 t -107.05 105.73 19.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.01 177.66 4.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.1 p30 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.932 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.0 tp . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.813 0.339 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.462 ' O ' HD22 ' A' ' 10' ' ' LEU . 44.5 mt -82.09 -41.56 20.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 179.12 152.94 11.0 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.491 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.488 ' N ' HD22 ' A' ' 133' ' ' LEU . 13.8 ptmt -153.02 153.21 32.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.814 0.34 . . . . 0.0 110.877 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.722 HG21 ' HB3' ' A' ' 131' ' ' TYR . 7.3 p -148.19 126.37 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.157 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -92.5 147.96 22.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.595 HG11 ' CD1' ' A' ' 17' ' ' ILE . 69.7 t -131.87 118.96 39.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.087 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.91 111.13 10.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.498 HD22 HG21 ' A' ' 17' ' ' ILE . 11.2 mt -87.01 19.15 3.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' ' 89' ' ' GLN . . . -82.85 8.52 12.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 96.6 p -74.73 165.03 25.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -104.05 -8.58 19.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -75.03 -9.15 58.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 12.6 mt -51.29 -32.74 25.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.401 ' HB3' ' HD2' ' A' ' 125' ' ' LYS . . . -50.66 -29.64 11.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.401 ' HD2' ' HB3' ' A' ' 124' ' ' ALA . 0.9 OUTLIER -113.38 -51.91 2.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 108.78 156.39 17.86 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.486 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 36.5 p90 -145.93 154.98 42.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.806 0.336 . . . . 0.0 110.965 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 27.2 m -120.66 130.82 54.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.104 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -163.63 160.39 22.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.941 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' TRP . . . . . 0.506 ' CE2' ' HB2' ' A' ' 14' ' ' GLN . 81.0 m95 -93.75 120.04 33.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . 0.722 ' HB3' HG21 ' A' ' 114' ' ' VAL . 23.0 m-85 -88.93 102.35 14.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -56.99 117.8 4.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.488 HD22 ' N ' ' A' ' 113' ' ' LYS . 14.1 mt -64.72 133.19 51.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 81.6 p -121.73 -179.75 4.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -85.65 164.08 17.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.867 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 62.8 m . . . . . 0 C--O 1.231 0.09 0 CA-C-O 121.664 0.745 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -20.37 34.85 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.651 2.234 . . . . 0.0 112.303 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.937 HD22 ' O ' ' A' ' 111' ' ' LEU . 95.8 mt -92.98 -46.04 7.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 146.64 -169.65 27.78 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.516 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -144.16 158.86 43.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.792 0.33 . . . . 0.0 110.929 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.664 HD12 ' SG ' ' A' ' 33' ' ' CYS . 2.9 tt -154.36 134.77 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.447 ' OE1' ' CD1' ' A' ' 130' ' ' TRP . 6.4 tt0 -104.46 123.87 48.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.906 HD11 HG11 ' A' ' 95' ' ' VAL . 21.7 mt -132.6 124.31 28.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.9 m -88.22 108.08 19.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.187 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.442 ' CD1' HG11 ' A' ' 116' ' ' VAL . 53.3 mt -101.52 122.23 53.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.143 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.451 ' HG3' ' CA ' ' A' ' 126' ' ' GLY . 13.7 ttm105 -151.53 106.26 3.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -98.42 116.22 30.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.823 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 24' ' ' ASN . 14.9 t -81.95 129.83 34.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.5 p -73.36 -43.32 60.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -61.13 -40.4 93.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 66.5 mtt180 -92.7 -24.03 18.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 20' ' ' SER . 12.7 m-80 56.38 51.89 10.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.2 mttm -132.18 150.04 52.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.421 HD21 HD13 ' A' ' 93' ' ' LEU . 24.0 tp -105.5 104.46 14.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.462 HG23 ' O ' ' A' ' 79' ' ' PHE . 5.4 mp -100.55 137.46 28.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.116 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.9 t -137.17 116.12 14.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.165 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.5 t -96.63 129.78 46.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.5 t -108.65 83.49 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.126 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.547 ' O ' HG23 ' A' ' 74' ' ' VAL . 96.6 m-70 -51.63 -73.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.836 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.61 ' HB2' HG23 ' A' ' 74' ' ' VAL . . . -174.57 159.01 2.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.044 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.664 ' SG ' HD12 ' A' ' 13' ' ' ILE . 38.2 m -106.2 164.01 12.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.481 ' HD3' ' CH2' ' A' ' 130' ' ' TRP . 7.3 ptm180 -149.95 161.03 43.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 59.16 41.73 19.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.9 mt -95.02 94.03 7.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.649 HD11 HD22 ' A' ' 111' ' ' LEU . 2.2 pp -50.59 160.37 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -122.86 134.84 54.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -59.83 -22.58 62.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.2 t -154.54 119.79 5.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.845 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 42' ' ' ASP . 18.6 tt0 -37.64 -41.48 0.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 41' ' ' GLU . 5.1 t0 -37.02 -47.47 0.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 150.39 146.65 4.37 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.516 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.3 p -128.78 163.68 24.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.884 0.373 . . . . 0.0 110.86 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.8 81.04 6.97 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.621 0.724 . . . . 0.0 110.875 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 148.18 64.44 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.704 2.269 . . . . 0.0 112.319 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.693 ' HB3' HG22 ' A' ' 66' ' ' VAL . 21.8 p90 -161.96 154.48 19.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.6 t -104.33 142.5 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.116 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 29.7 ttt180 -131.04 124.84 31.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 69.8 mtm -115.89 118.47 33.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -124.63 122.94 38.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 52' ' ' LEU . 9.3 tp -74.8 88.43 2.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.543 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 83.8 mt -67.78 153.56 94.93 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.611 0.72 . . . . 0.0 110.936 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.8 Cg_endo -69.72 -38.41 1.63 Allowed 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.345 -0.14 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.454 ' C ' ' O ' ' A' ' 54' ' ' PRO . 13.8 t70 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.896 0.379 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.1 pttm -145.6 164.38 31.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.454 HG22 ' CZ ' ' A' ' 79' ' ' PHE . 10.2 p -97.95 175.24 6.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.11 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.433 ' CG ' ' N ' ' A' ' 66' ' ' VAL . 86.5 t60 -57.35 166.56 1.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.693 HG22 ' HB3' ' A' ' 47' ' ' TYR . 23.3 t -111.32 99.64 9.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.541 ' HB3' HG21 ' A' ' 70' ' ' THR . 20.0 m -66.24 142.48 57.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.7 mtpt -117.34 154.72 30.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.4 mptt 46.25 54.14 8.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.884 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.541 HG21 ' HB3' ' A' ' 67' ' ' SER . 11.9 t -162.78 149.71 13.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 46.0 mt -107.96 -32.97 7.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.886 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -107.55 75.69 0.49 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.606 0.717 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 152.49 69.53 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.701 2.268 . . . . 0.0 112.313 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.61 HG23 ' HB2' ' A' ' 32' ' ' ALA . 2.5 p -147.54 120.13 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.141 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.45 ' O ' ' CG ' ' A' ' 76' ' ' ASP . 0.8 OUTLIER -110.85 -32.68 6.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.45 ' CG ' ' O ' ' A' ' 75' ' ' PHE . 0.7 OUTLIER 47.23 39.42 8.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -97.65 145.11 26.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 37.3 t -113.74 113.09 24.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.462 ' O ' HG23 ' A' ' 27' ' ' ILE . 19.8 m-85 -96.74 170.37 9.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.88 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -153.7 143.39 21.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.877 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -137.09 126.93 25.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 69.1 p -74.35 90.26 2.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.826 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.7 p -143.56 134.63 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.173 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.465 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 1.5 m -74.25 147.97 41.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.607 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 4.4 tp -52.47 -44.63 94.77 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.59 0.71 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.607 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 65.6 Cg_exo -48.02 -41.58 33.03 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.664 2.243 . . . . 0.0 112.333 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -79.16 -64.89 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.625 HG22 HD12 ' A' ' 118' ' ' LEU . 1.3 p -42.12 -40.74 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.112 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.462 ' N ' ' CG1' ' A' ' 88' ' ' VAL . 65.2 mt-30 -45.26 -43.22 10.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 87.2 mtt-85 -84.84 -20.35 31.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 55.5 mtt180 -82.67 168.39 17.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 25.9 m -135.75 145.74 46.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.178 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.421 HD13 HD21 ' A' ' 26' ' ' LEU . 5.3 tp -91.2 96.57 10.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.645 ' HA ' HD13 ' A' ' 115' ' ' LEU . 23.5 t70 -71.63 99.31 2.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.906 HG11 HD11 ' A' ' 15' ' ' LEU . 11.6 t -108.6 106.63 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.115 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -122.89 125.62 45.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.133 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 43.3 t -108.68 101.56 12.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.1 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.76 -176.75 3.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.483 ' HB3' HD11 ' A' ' 111' ' ' LEU . 6.6 p30 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 14.5 tp . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.836 0.35 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.937 ' O ' HD22 ' A' ' 10' ' ' LEU . 54.5 mt -89.88 -52.13 5.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.617 ' C ' HD22 ' A' ' 133' ' ' LEU . . . -163.77 147.98 13.95 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.475 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -149.36 160.09 43.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.814 0.34 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.558 HG11 ' HB3' ' A' ' 131' ' ' TYR . 7.2 p -154.9 127.07 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.143 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.645 HD13 ' HA ' ' A' ' 94' ' ' ASP . 3.5 mm? -90.85 146.37 23.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.442 HG11 ' CD1' ' A' ' 17' ' ' ILE . 92.2 t -128.11 116.99 44.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.104 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.41 111.01 8.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.077 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.625 HD12 HG22 ' A' ' 88' ' ' VAL . 11.9 mt -83.58 19.57 1.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.938 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -83.51 19.41 1.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 42.0 m -83.23 161.91 21.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -106.0 -17.9 14.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -90.53 41.12 1.04 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 13.5 mt -83.49 -49.87 8.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -42.0 -42.37 2.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.445 ' HG3' ' N ' ' A' ' 126' ' ' GLY . 37.0 pttt -71.89 -43.69 64.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . 0.451 ' CA ' ' HG3' ' A' ' 18' ' ' ARG . . . 89.99 147.25 16.81 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 15.3 p90 -144.92 156.69 44.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.844 0.354 . . . . 0.0 110.878 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 98.9 m -130.28 131.85 45.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -161.04 160.48 30.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.931 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' TRP . . . . . 0.481 ' CH2' ' HD3' ' A' ' 34' ' ' ARG . 73.8 m95 -93.64 109.94 21.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.944 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . 0.558 ' HB3' HG11 ' A' ' 114' ' ' VAL . 26.7 m-85 -80.87 101.49 9.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -61.31 115.26 3.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.617 HD22 ' C ' ' A' ' 112' ' ' GLY . 30.1 mt -62.86 135.18 57.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.491 ' CA ' HD12 ' A' ' 10' ' ' LEU . 44.7 p -124.66 171.69 9.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -70.91 165.25 23.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 22.9 p-10 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.843 179.976 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.415 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . 19.5 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.646 0.736 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 8' ' ' SER . 53.5 Cg_endo -69.79 -23.28 30.82 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.674 2.249 . . . . 0.0 112.316 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.493 HD11 ' HG3' ' A' ' 135' ' ' GLU . 63.3 mt -101.22 -41.79 6.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.458 ' CA ' ' O ' ' A' ' 35' ' ' ASN . . . 142.73 175.93 16.35 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.457 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -130.1 172.53 11.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.785 0.326 . . . . 0.0 110.94 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.566 HD11 HD21 ' A' ' 15' ' ' LEU . 13.5 tt -163.48 130.33 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.131 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.605 ' O ' HD23 ' A' ' 15' ' ' LEU . 7.1 tt0 -99.43 122.46 42.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.951 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.891 HD22 HG22 ' A' ' 30' ' ' VAL . 39.5 mt -135.32 117.4 15.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.7 m -79.82 101.95 8.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.598 HG21 HD22 ' A' ' 118' ' ' LEU . 40.2 mt -96.84 111.7 27.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.132 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.0 ttm180 -143.44 125.61 15.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 38.6 t-80 -103.13 101.98 11.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.8 m -66.39 122.18 16.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 72.5 p -69.96 -46.23 65.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -63.36 -47.6 81.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.4 mtp85 -79.05 -22.53 45.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.5 m120 56.44 47.11 19.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.5 mttt -139.65 155.16 47.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.512 HD21 HD13 ' A' ' 93' ' ' LEU . 19.6 tp -101.36 104.1 15.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.893 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.7 mp -91.49 124.5 44.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.166 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 99.5 t -128.04 108.6 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.172 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.8 t -95.82 136.98 25.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.891 HG22 HD22 ' A' ' 15' ' ' LEU . 61.6 t -116.74 92.04 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -57.06 -72.21 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -172.27 161.09 5.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.112 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 9.0 m -113.81 154.55 27.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.1 ptt180 -142.66 174.13 10.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.458 ' O ' ' CA ' ' A' ' 11' ' ' GLY . 91.4 m-20 52.1 49.13 21.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.929 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.411 ' O ' HD22 ' A' ' 71' ' ' LEU . 89.3 mt -108.87 89.24 2.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.405 HD12 ' C ' ' A' ' 37' ' ' ILE . 2.7 pp -46.74 154.02 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.862 ' HB2' HD21 ' A' ' 71' ' ' LEU . . . -109.88 137.97 46.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.075 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -62.29 -21.95 65.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 41' ' ' GLU . 4.0 t -158.02 122.77 4.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 42' ' ' ASP . 10.5 tp10 -35.74 -43.46 0.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 41' ' ' GLU . 38.5 m-20 -35.33 -48.79 0.48 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 148.04 137.08 2.84 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.497 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.8 p -115.48 155.89 26.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 0.0 110.819 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.14 81.12 3.59 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.613 0.721 . . . . 0.0 110.824 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 137.01 34.58 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.688 2.258 . . . . 0.0 112.385 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.585 ' CB ' HG22 ' A' ' 66' ' ' VAL . 12.1 p90 -146.75 135.49 22.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.949 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 93.6 t -88.07 141.19 14.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.127 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.421 ' HD3' ' CE1' ' A' ' 51' ' ' TYR . 9.9 ttm180 -131.41 130.2 42.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.566 ' O ' ' CD1' ' A' ' 51' ' ' TYR . 63.9 mtm -113.53 151.48 31.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.566 ' CD1' ' O ' ' A' ' 50' ' ' MET . 12.3 m-85 -158.04 126.02 5.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.906 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 23.2 tp -85.37 80.7 9.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.959 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.528 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 1.5 mm? -61.76 154.49 66.52 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.587 0.708 . . . . 0.0 110.914 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.1 Cg_endo -69.82 -51.18 0.16 OUTLIER 'Cis proline' 0 C--O 1.231 0.148 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.323 -0.075 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.7 t0 . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.864 179.895 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.562 ' HB3' ' CD2' ' A' ' 79' ' ' PHE . 25.2 mmt85 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.894 0.378 . . . . 0.0 110.841 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -117.96 168.15 10.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 51.7 p -100.36 161.02 13.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 29.7 m80 -52.43 154.51 2.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.585 HG22 ' CB ' ' A' ' 47' ' ' TYR . 58.9 t -99.11 110.13 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.105 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 35.6 m -85.76 142.71 28.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -120.93 159.45 25.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.6 mptt 57.28 44.59 21.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.6 t -168.07 137.63 2.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.117 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.862 HD21 ' HB2' ' A' ' 38' ' ' ALA . 77.4 mt -92.34 -24.59 18.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -114.64 85.67 11.66 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.65 0.738 . . . . 0.0 110.93 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.455 ' HB2' ' CZ ' ' A' ' 75' ' ' PHE . 53.7 Cg_endo -69.77 155.11 66.76 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.694 2.263 . . . . 0.0 112.375 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 90.4 t -138.09 118.91 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.179 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.455 ' CZ ' ' HB2' ' A' ' 73' ' ' PRO . 1.4 m-85 -117.06 -53.26 2.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.2 t70 60.11 33.35 21.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -94.05 160.75 14.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 41.7 t -130.64 121.79 26.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.562 ' CD2' ' HB3' ' A' ' 62' ' ' ARG . 23.3 m-85 -105.92 170.04 8.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.903 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -147.94 155.16 41.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -148.21 129.94 15.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 55.1 p -76.79 91.04 3.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.7 p -143.48 135.16 23.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.103 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.492 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 1.0 OUTLIER -75.22 149.26 38.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.832 -179.81 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.824 HD13 ' C ' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -52.81 -44.58 96.38 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.604 0.716 . . . . 0.0 110.904 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.738 ' N ' HD13 ' A' ' 85' ' ' LEU . 65.0 Cg_exo -47.92 -41.63 32.31 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.654 2.236 . . . . 0.0 112.362 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 89' ' ' GLN . 1.0 OUTLIER -80.92 -60.15 2.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.521 HG12 ' O ' ' A' ' 85' ' ' LEU . 0.7 OUTLIER -38.16 -26.67 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.104 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.762 ' NE2' HD11 ' A' ' 85' ' ' LEU . 73.0 mt-30 -62.58 -54.55 37.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -75.32 -18.14 60.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 76.8 mtt-85 -79.03 171.15 15.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.9 m -141.52 144.59 34.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.148 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.512 HD13 HD21 ' A' ' 26' ' ' LEU . 3.9 tp -95.46 95.86 8.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.62 99.97 1.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.905 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.788 HG11 HD11 ' A' ' 15' ' ' LEU . 39.3 t -108.85 101.23 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -119.61 124.53 46.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.084 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 70.5 t -108.07 102.2 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.127 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.603 ' NZ ' HD13 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -135.19 176.46 8.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.908 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.2 p30 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 179.932 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.603 HD13 ' NZ ' ' A' ' 98' ' ' LYS . 3.8 tp . . . . . 0 C--O 1.233 0.201 0 CA-C-O 120.79 0.329 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 96.2 mt -94.18 -42.52 8.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -175.64 132.18 2.08 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.443 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -134.45 154.89 51.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.815 0.34 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.448 HG13 ' O ' ' A' ' 114' ' ' VAL . 11.8 p -154.3 123.82 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.177 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -90.77 144.59 25.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 86.1 t -128.55 115.61 38.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.142 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.76 111.8 9.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.598 HD22 HG21 ' A' ' 17' ' ' ILE . 12.0 mt -84.52 26.82 0.76 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -90.99 19.45 5.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.117 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.1 m -90.03 154.2 19.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -96.96 24.56 6.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.903 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -104.91 -11.44 16.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 19.5 mt -54.27 -36.18 63.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -42.96 -29.54 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -111.69 -56.74 2.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 114.48 152.46 10.49 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 28.6 p90 -145.83 156.59 43.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.832 0.349 . . . . 0.0 110.923 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 97.3 m -129.05 132.69 47.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.116 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -164.79 157.82 16.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' TRP . . . . . . . . . . . . . 49.3 m95 -89.18 100.8 13.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -70.86 102.72 2.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.948 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -58.97 115.38 3.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 75.0 mt -64.51 143.77 57.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 79.3 p -125.82 174.38 8.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.493 ' HG3' HD11 ' A' ' 10' ' ' LEU . 56.6 mt-10 -78.63 169.75 17.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.3 p30 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 179.995 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.9 p . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.671 0.748 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.86 -27.57 25.85 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.68 2.253 . . . . 0.0 112.346 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.5 HD11 ' HG3' ' A' ' 135' ' ' GLU . 71.4 mt -81.65 -48.0 12.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.931 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 143.02 -178.81 21.04 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.457 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -138.16 175.08 9.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.782 0.325 . . . . 0.0 110.937 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.9 tt -155.9 131.57 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.129 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.453 ' NE2' ' NE1' ' A' ' 130' ' ' TRP . 31.5 tt0 -98.86 119.29 37.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.588 HD11 HG11 ' A' ' 95' ' ' VAL . 11.2 mt -136.61 138.61 41.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 97.0 m -104.6 105.72 15.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.507 ' CD1' HG11 ' A' ' 116' ' ' VAL . 28.1 mt -97.71 125.41 50.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.079 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 38.0 ttt180 -155.65 110.55 2.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.457 ' NE2' ' N ' ' A' ' 85' ' ' LEU . 8.4 t-80 -98.04 113.37 25.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.814 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.6 t -79.51 131.67 36.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.9 p -76.34 -30.74 57.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.835 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -73.56 -48.0 36.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.443 ' O ' ' CG ' ' A' ' 24' ' ' ASN . 13.6 mmm-85 -87.86 -12.59 44.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.443 ' CG ' ' O ' ' A' ' 23' ' ' ARG . 5.6 p-10 46.56 50.48 12.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.5 mttm -133.77 150.57 51.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.472 HD13 HG21 ' A' ' 88' ' ' VAL . 19.4 tp -105.54 107.09 17.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.3 mp -95.77 125.92 48.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.161 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.441 HG11 HD21 ' A' ' 93' ' ' LEU . 42.3 t -128.58 106.93 15.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.169 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.452 HG22 ' CB ' ' A' ' 78' ' ' SER . 49.1 t -92.8 138.01 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.097 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.515 HG22 HD22 ' A' ' 15' ' ' LEU . 82.4 t -114.68 79.72 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.119 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -44.75 -72.52 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -172.13 163.37 5.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.081 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 63.3 m -115.4 144.22 44.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.826 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.5 ptt180 -136.38 163.81 29.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 61.46 45.03 8.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 76.9 mt -101.34 94.95 6.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.942 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.642 ' O ' HD12 ' A' ' 37' ' ' ILE . 2.7 pp -53.94 136.25 15.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.589 ' HB2' ' CD2' ' A' ' 71' ' ' LEU . . . -98.98 132.27 44.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -52.61 -34.78 52.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.4 t -134.4 120.78 20.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.853 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 42' ' ' ASP . 44.2 mt-10 -37.45 -48.85 0.99 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 41' ' ' GLU . 1.3 m-20 -36.25 -46.0 0.49 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 157.58 164.23 13.57 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.471 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.433 ' HB3' ' HB1' ' A' ' 38' ' ' ALA . 59.0 p -146.0 159.36 43.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.863 0.363 . . . . 0.0 110.838 -179.726 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.471 ' HB2' ' CG1' ' A' ' 66' ' ' VAL . 17.7 p30 -113.14 82.63 5.66 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.626 0.727 . . . . 0.0 110.867 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 149.53 66.72 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.707 2.272 . . . . 0.0 112.344 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.446 ' HB3' HG22 ' A' ' 66' ' ' VAL . 6.2 p90 -161.1 143.15 12.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.866 HG22 HG22 ' A' ' 97' ' ' VAL . 65.8 t -102.01 147.68 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.123 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -133.8 136.0 44.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.862 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.447 ' HE1' ' CD1' ' A' ' 79' ' ' PHE . 50.7 mtm -114.42 143.86 44.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -151.04 114.18 4.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.415 ' O ' ' O ' ' A' ' 55' ' ' ASP . 15.1 tp -70.35 79.54 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.534 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 79.0 mt -57.89 155.54 22.82 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.584 0.707 . . . . 0.0 110.906 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.7 Cg_endo -69.77 -51.62 0.16 OUTLIER 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.65 -1.813 . . . . 0.0 112.38 -0.152 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.415 ' O ' ' O ' ' A' ' 52' ' ' LEU . 5.1 m-20 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.903 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.572 ' HB3' ' CD2' ' A' ' 79' ' ' PHE . 15.1 mmt85 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.884 0.373 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.04 164.08 14.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 77.8 p -103.79 166.44 10.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.148 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 60.5 t60 -51.95 158.14 1.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.471 ' CG1' ' HB2' ' A' ' 45' ' ' ASP . 70.8 t -106.51 102.28 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.419 ' HB3' HG21 ' A' ' 70' ' ' THR . 3.1 m -68.35 142.74 55.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.9 mmtt -119.32 144.84 46.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm 57.99 46.33 16.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.419 HG21 ' HB3' ' A' ' 67' ' ' SER . 13.8 t -161.65 153.39 19.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.589 ' CD2' ' HB2' ' A' ' 38' ' ' ALA . 94.0 mt -104.95 -27.8 11.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.539 ' ND2' ' C ' ' A' ' 72' ' ' ASN . 0.5 OUTLIER -113.81 89.35 15.93 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.636 0.732 . . . . 0.0 110.908 179.909 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.449 ' HB2' ' CZ ' ' A' ' 75' ' ' PHE . 53.4 Cg_endo -69.75 149.93 67.6 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.706 2.27 . . . . 0.0 112.335 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 46.2 t -131.33 113.19 22.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.186 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.449 ' CZ ' ' HB2' ' A' ' 73' ' ' PRO . 11.3 m-85 -110.98 -56.53 2.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.5 t70 63.72 36.76 10.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -100.76 160.33 14.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.452 ' CB ' HG22 ' A' ' 29' ' ' VAL . 29.4 t -130.74 117.19 19.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.572 ' CD2' ' HB3' ' A' ' 62' ' ' ARG . 32.4 m-85 -100.06 161.19 13.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -141.32 153.31 45.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -146.47 132.73 19.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 63.8 p -77.27 91.43 3.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.88 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.5 p -143.51 132.48 19.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.126 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.48 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 1.1 m -74.7 147.72 41.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.846 HD13 ' C ' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -52.97 -44.37 96.7 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.655 0.741 . . . . 0.0 110.967 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.724 ' N ' HD13 ' A' ' 85' ' ' LEU . 65.5 Cg_exo -48.06 -37.58 30.48 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.656 2.237 . . . . 0.0 112.355 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 89' ' ' GLN . 5.2 mm-40 -85.62 -59.64 2.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.915 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.489 HG12 ' O ' ' A' ' 85' ' ' LEU . 0.9 OUTLIER -38.26 -26.46 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.781 ' NE2' HD11 ' A' ' 85' ' ' LEU . 70.6 mt-30 -61.51 -48.39 81.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 76.0 mtt180 -78.83 -22.38 46.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 67.2 mtt-85 -78.32 171.66 14.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.6 m -145.59 136.95 25.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.195 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.441 HD21 HG11 ' A' ' 28' ' ' VAL . 3.0 tp -82.9 100.25 10.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.508 ' HA ' HD13 ' A' ' 115' ' ' LEU . 13.1 t70 -76.06 100.44 4.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.588 HG11 HD11 ' A' ' 15' ' ' LEU . 11.7 t -108.79 108.96 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -127.9 126.47 41.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.103 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.866 HG22 HG22 ' A' ' 48' ' ' VAL . 90.7 t -104.06 104.51 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.14 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 35.7 mttt -122.22 176.04 6.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.689 ' HB3' HD11 ' A' ' 111' ' ' LEU . 25.9 p30 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.8 tp . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.861 0.362 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.689 HD11 ' HB3' ' A' ' 99' ' ' ASN . 76.9 mt -85.37 -34.48 21.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.451 ' C ' HD22 ' A' ' 133' ' ' LEU . . . 175.79 150.92 8.32 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.442 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.433 ' N ' HD22 ' A' ' 133' ' ' LEU . 4.7 ptmm? -156.71 150.23 24.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.348 . . . . 0.0 110.902 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.453 HG13 ' O ' ' A' ' 114' ' ' VAL . 14.8 p -154.67 125.41 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.165 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.508 HD13 ' HA ' ' A' ' 94' ' ' ASP . 1.1 mm? -88.53 155.6 19.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.953 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.507 HG11 ' CD1' ' A' ' 17' ' ' ILE . 75.6 t -134.13 108.65 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.57 109.96 3.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 6.7 mt -85.39 26.27 0.93 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -87.55 27.89 1.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.081 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 56.5 m -93.17 160.42 14.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -101.47 -17.02 16.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -91.76 41.65 1.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.401 HD23 ' CZ3' ' A' ' 127' ' ' TRP . 11.6 mt -83.15 -51.82 7.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -40.61 -41.51 1.5 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 32.9 mtpt -72.07 -45.49 60.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 91.64 153.13 29.33 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.472 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . 0.401 ' CZ3' HD23 ' A' ' 123' ' ' LEU . 15.2 p90 -147.87 159.73 43.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.885 0.374 . . . . 0.0 110.895 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 88.5 m -133.87 130.01 37.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.152 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -165.17 163.56 20.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' TRP . . . . . 0.453 ' NE1' ' NE2' ' A' ' 14' ' ' GLN . 85.1 m95 -93.8 124.24 37.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.947 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -95.25 101.2 12.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.96 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.411 ' O ' ' CG ' ' A' ' 132' ' ' ASP . 0.7 OUTLIER -56.91 115.28 2.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.451 HD22 ' C ' ' A' ' 112' ' ' GLY . 55.5 mt -63.62 143.24 57.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 76.6 p -131.48 158.55 40.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.5 ' HG3' HD11 ' A' ' 10' ' ' LEU . 39.4 mt-10 -71.31 154.42 41.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 12.0 t70 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 179.985 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.3 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.644 0.735 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -29.12 24.66 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.682 2.254 . . . . 0.0 112.377 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.8 mt -76.36 -52.7 9.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 148.59 -174.96 28.09 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.512 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -136.19 175.01 9.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.783 0.325 . . . . 0.0 110.919 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.664 HD11 HD21 ' A' ' 15' ' ' LEU . 15.1 tt -161.54 134.93 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.173 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.524 ' HB2' ' CZ2' ' A' ' 130' ' ' TRP . 23.4 tt0 -99.46 119.79 38.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.664 HD21 HD11 ' A' ' 13' ' ' ILE . 13.0 mt -137.03 138.75 40.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.951 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 90.4 m -103.93 109.1 20.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.513 HD12 HG11 ' A' ' 116' ' ' VAL . 78.9 mt -100.76 118.2 47.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.125 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 38.1 ttp180 -147.82 115.82 6.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.2 t-80 -97.97 107.01 19.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.802 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.4 m -74.6 120.94 20.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.844 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 25.0 p -68.12 -54.69 16.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.858 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -51.56 -44.09 62.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.7 mmm180 -83.26 -20.23 34.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.7 m120 55.07 45.9 25.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.0 mttm -137.49 158.48 44.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 39.0 tp -106.32 108.53 20.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.5 mp -96.98 133.07 39.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 92.2 t -139.82 109.8 3.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.461 HG22 ' HB2' ' A' ' 78' ' ' SER . 57.3 t -91.41 142.55 12.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.149 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.579 HG22 HD22 ' A' ' 15' ' ' LEU . 57.7 t -121.72 94.57 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.161 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -61.13 -73.54 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -171.81 163.56 6.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.575 ' SG ' HD12 ' A' ' 13' ' ' ILE . 63.1 m -112.88 147.2 37.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -139.43 165.07 28.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 62.22 39.25 12.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 48.2 mt -96.0 106.88 19.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.556 ' O ' HD12 ' A' ' 37' ' ' ILE . 2.5 pp -61.6 139.65 20.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.652 ' HB2' HD21 ' A' ' 71' ' ' LEU . . . -99.01 113.6 25.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.127 179.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -41.17 -36.35 0.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 41' ' ' GLU . 34.9 t -135.22 116.9 14.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 40' ' ' SER . 12.8 mt-10 -35.55 -45.58 0.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -38.9 -48.54 1.58 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 153.76 139.86 2.94 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.522 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 79.0 p -120.75 159.77 24.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.868 0.366 . . . . 0.0 110.858 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.23 81.72 1.38 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.604 0.716 . . . . 0.0 110.862 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 138.59 38.27 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.709 2.272 . . . . 0.0 112.329 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.414 ' CD1' ' O ' ' A' ' 98' ' ' LYS . 3.6 p90 -156.05 136.32 13.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.899 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.648 HG22 HG22 ' A' ' 97' ' ' VAL . 78.9 t -88.77 149.71 3.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.132 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.0 ttt180 -137.01 134.76 36.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.431 ' HE1' ' CD1' ' A' ' 79' ' ' PHE . 66.2 mtm -119.43 137.96 53.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.863 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -148.5 113.65 5.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.43 HD21 HH11 ' A' ' 91' ' ' ARG . 22.1 tp -71.49 88.76 0.92 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.958 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.54 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 88.2 mt -62.64 152.06 82.35 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.611 0.719 . . . . 0.0 110.903 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.6 Cg_endo -69.75 -41.54 0.89 Allowed 'Cis proline' 0 C--N 1.341 0.161 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.336 -0.135 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 179.914 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.522 ' HG3' ' CD2' ' A' ' 79' ' ' PHE . 8.2 tpp180 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.836 0.35 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.6 pttp -148.97 168.11 23.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 38.4 p -96.91 158.38 15.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -56.15 158.37 4.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.1 p -105.47 119.32 54.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.122 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.5 t -90.67 151.3 21.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.827 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -117.54 159.35 23.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? 48.48 50.81 16.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.498 ' O ' HG23 ' A' ' 70' ' ' THR . 9.4 t -165.98 117.89 1.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.127 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.652 HD21 ' HB2' ' A' ' 38' ' ' ALA . 69.4 mt -74.51 -38.03 62.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -106.43 87.19 2.51 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.598 0.713 . . . . 0.0 110.903 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 156.31 63.75 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.687 2.258 . . . . 0.0 112.308 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 89.0 t -136.49 125.78 37.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.138 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -120.5 -53.48 2.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 59.7 39.96 20.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -113.87 156.3 24.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.965 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.461 ' HB2' HG22 ' A' ' 29' ' ' VAL . 40.1 t -126.75 137.93 53.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.522 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 7.1 m-85 -115.16 167.24 11.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.842 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -145.16 149.13 34.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.844 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -143.11 129.88 20.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 54.9 p -73.04 91.61 1.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.5 p -143.49 132.93 20.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.121 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.486 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 1.0 OUTLIER -76.4 148.3 37.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 -179.843 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.84 HD13 ' C ' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -52.15 -44.68 93.23 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.602 0.715 . . . . 0.0 110.91 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.733 ' N ' HD13 ' A' ' 85' ' ' LEU . 65.5 Cg_exo -47.98 -42.07 32.25 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.723 2.282 . . . . 0.0 112.303 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 89' ' ' GLN . 0.7 OUTLIER -82.41 -62.26 1.67 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.404 HG12 ' O ' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -38.48 -26.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.814 ' NE2' HD11 ' A' ' 85' ' ' LEU . 60.6 mt-30 -58.21 -56.26 24.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.2 ptt180 -76.75 -4.2 42.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.43 HH11 HD21 ' A' ' 52' ' ' LEU . 32.0 mtt180 -91.77 169.38 10.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 76.7 m -142.01 142.49 32.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.119 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.4 tp -86.09 101.88 13.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -70.9 100.82 2.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.4 HG11 HD11 ' A' ' 15' ' ' LEU . 29.7 t -111.75 100.0 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -120.74 116.53 25.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.648 HG22 HG22 ' A' ' 48' ' ' VAL . 45.4 t -103.23 106.68 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.446 ' HA ' HD12 ' A' ' 111' ' ' LEU . 0.0 OUTLIER -144.08 -179.5 6.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.975 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.455 ' CD2' ' HB2' ' A' ' 136' ' ' ASP . 18.6 tp . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.849 0.357 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 98' ' ' LYS . 22.1 mt -85.7 -33.46 21.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.422 ' C ' HD22 ' A' ' 133' ' ' LEU . . . 176.08 136.57 2.38 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.516 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.21 152.53 49.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.816 0.341 . . . . 0.0 110.944 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' ' 114' ' ' VAL . 11.8 p -152.29 125.37 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.106 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.415 ' N ' ' CD2' ' A' ' 115' ' ' LEU . 1.3 mm? -94.35 152.23 18.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.513 HG11 HD12 ' A' ' 17' ' ' ILE . 86.1 t -131.83 117.43 34.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -74.5 110.28 8.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.103 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 8.5 mt -86.34 28.76 0.81 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.922 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -93.48 27.78 2.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.077 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.5 t -97.62 -176.73 3.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -118.34 -11.56 10.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.558 ' HG3' ' CZ3' ' A' ' 127' ' ' TRP . 10.5 pt-20 -85.87 26.56 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 124' ' ' ALA . 15.5 mt -84.47 -53.23 5.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 123' ' ' LEU . . . -36.55 -41.69 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.085 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.1 -48.27 10.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 101.5 153.23 25.76 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.53 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . 0.558 ' CZ3' ' HG3' ' A' ' 122' ' ' GLU . 19.1 p90 -145.47 165.42 28.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.861 0.363 . . . . 0.0 110.933 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 62.0 m -135.33 128.53 31.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -160.51 155.32 24.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' TRP . . . . . 0.524 ' CZ2' ' HB2' ' A' ' 14' ' ' GLN . 72.6 m95 -87.16 110.24 20.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -82.62 105.65 13.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -62.93 118.22 7.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.422 HD22 ' C ' ' A' ' 112' ' ' GLY . 62.4 mt -61.6 143.05 56.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 74.9 p -132.36 144.04 50.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.134 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.06 166.55 13.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . 0.455 ' HB2' ' CD2' ' A' ' 110' ' ' LEU . 33.1 t0 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.421 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . 1.2 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 121.701 0.762 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 8' ' ' SER . 53.4 Cg_endo -69.75 -22.22 32.41 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.694 2.262 . . . . 0.0 112.277 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.485 HD22 ' O ' ' A' ' 111' ' ' LEU . 57.2 mt -85.86 -48.63 8.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.96 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 153.35 -166.92 31.8 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.553 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -147.62 174.31 11.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.767 0.318 . . . . 0.0 110.941 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.4 tt -163.95 132.77 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.49 ' HB2' ' CE2' ' A' ' 130' ' ' TRP . 31.5 tt0 -99.55 115.37 29.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.583 ' CD1' HG11 ' A' ' 95' ' ' VAL . 3.1 mt -133.88 135.57 43.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 88.6 m -98.31 110.77 23.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.633 HD12 HG11 ' A' ' 116' ' ' VAL . 21.2 mt -101.53 123.06 54.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.32 137.86 15.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.845 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.423 ' CE1' ' HA ' ' A' ' 24' ' ' ASN . 5.3 t-80 -125.77 114.19 18.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 24' ' ' ASN . 9.1 t -77.9 126.25 30.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 93.6 p -67.35 -39.7 85.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.843 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 -68.96 -47.43 65.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.449 ' O ' ' CG ' ' A' ' 24' ' ' ASN . 5.4 mmt180 -83.39 -16.25 46.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.48 ' N ' ' O ' ' A' ' 20' ' ' SER . 3.3 p30 46.25 52.91 10.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.937 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.2 mttt -135.48 148.55 49.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.631 HD21 HD13 ' A' ' 93' ' ' LEU . 13.8 tp -102.67 111.05 23.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.925 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.9 mp -99.45 136.11 31.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 45.9 t -140.16 112.05 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.149 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.9 t -95.69 150.79 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.129 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.516 HG13 ' CD2' ' A' ' 15' ' ' LEU . 3.3 t -132.63 83.86 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -51.13 -74.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.442 ' HB2' HG13 ' A' ' 74' ' ' VAL . . . -173.33 158.39 3.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.103 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 58.6 m -105.74 166.15 10.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 33.9 ptt180 -152.95 164.61 37.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 51.66 54.13 11.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 82.8 mt -107.56 98.83 8.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.501 ' O ' HD12 ' A' ' 37' ' ' ILE . 2.5 pp -55.83 143.65 8.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -108.22 139.0 43.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -53.25 -25.85 15.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 41' ' ' GLU . 43.6 t -148.18 119.84 8.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 42' ' ' ASP . 48.8 tp10 -35.36 -46.24 0.36 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.901 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 41' ' ' GLU . 65.2 m-20 -34.46 -47.23 0.3 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 145.68 155.79 6.62 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.483 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.3 m -140.25 172.02 13.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.882 0.372 . . . . 0.0 110.858 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.407 ' HB3' HG12 ' A' ' 66' ' ' VAL . 0.8 OUTLIER -116.97 83.26 14.45 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.611 0.719 . . . . 0.0 110.864 179.895 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 141.48 45.14 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.667 2.245 . . . . 0.0 112.331 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.501 ' CB ' HG22 ' A' ' 66' ' ' VAL . 4.5 p90 -152.11 140.26 20.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.663 HG22 HG22 ' A' ' 97' ' ' VAL . 72.2 t -90.1 150.56 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.151 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -132.36 148.05 52.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 58.2 mtm -137.37 120.93 17.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -136.66 111.98 9.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 49.0 tp -67.44 93.9 0.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.538 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 48.3 mt -70.22 154.31 94.63 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.605 0.716 . . . . 0.0 110.94 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.9 Cg_endo -69.74 -45.23 0.43 Allowed 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.752 -1.77 . . . . 0.0 112.335 -0.088 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 51.6 t0 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.922 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.5 tpp180 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.882 0.373 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -141.28 170.93 14.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 45.1 p -98.28 168.03 10.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -54.13 163.06 0.86 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.501 HG22 ' CB ' ' A' ' 47' ' ' TYR . 91.7 t -105.66 102.74 14.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.2 m -71.49 141.6 50.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 52.9 mttt -121.52 159.87 25.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp 51.01 52.11 15.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.6 t -173.32 141.47 0.92 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.16 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 26.3 mt -97.79 -13.17 21.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -124.76 83.04 59.51 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.631 0.729 . . . . 0.0 110.868 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 147.67 63.11 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.627 2.218 . . . . 0.0 112.35 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.442 HG13 ' HB2' ' A' ' 32' ' ' ALA . 45.9 t -132.47 114.6 23.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -107.87 -46.64 3.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.6 t70 55.65 29.94 14.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -103.71 151.75 22.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 38.6 t -124.07 138.96 54.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.439 ' CD1' ' N ' ' A' ' 79' ' ' PHE . 3.6 m-85 -117.2 171.53 7.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -149.9 149.05 29.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -140.54 124.69 17.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 70.9 p -71.82 92.33 1.22 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.856 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.4 p -143.38 134.53 22.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.17 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.483 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 1.0 OUTLIER -74.13 148.68 41.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 -179.838 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.616 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 3.0 tp -53.77 -44.11 97.43 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.616 0.722 . . . . 0.0 110.912 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 65.4 Cg_exo -48.07 -35.19 25.23 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.66 2.24 . . . . 0.0 112.366 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -88.92 -58.04 2.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.597 HG22 HD12 ' A' ' 118' ' ' LEU . 1.3 p -45.99 -30.43 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.423 ' OE1' ' HA ' ' A' ' 86' ' ' PRO . 73.0 mt-30 -59.32 -60.68 3.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 -69.72 -3.35 14.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 88.6 mtt-85 -97.11 -179.23 4.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 77.7 m -150.34 136.61 18.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.13 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.631 HD13 HD21 ' A' ' 26' ' ' LEU . 4.4 tp -84.47 104.96 14.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.857 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.403 ' HB2' ' CD1' ' A' ' 53' ' ' LEU . 12.3 t0 -75.34 97.02 3.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.583 HG11 ' CD1' ' A' ' 15' ' ' LEU . 17.3 t -106.67 102.73 14.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.137 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -128.71 133.24 48.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.096 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.663 HG22 HG22 ' A' ' 48' ' ' VAL . 78.9 t -104.75 101.55 12.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.116 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -106.45 -177.37 3.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.539 ' CB ' HD11 ' A' ' 111' ' ' LEU . 2.1 t30 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.1 tp . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.855 0.359 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.539 HD11 ' CB ' ' A' ' 99' ' ' ASN . 14.8 mt -108.16 -45.53 3.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.678 ' C ' HD22 ' A' ' 133' ' ' LEU . . . -166.38 144.57 9.24 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.504 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.65 ' N ' HD22 ' A' ' 133' ' ' LEU . 4.9 ptmm? -150.6 154.67 37.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.785 0.326 . . . . 0.0 110.931 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.49 HG11 ' HB3' ' A' ' 131' ' ' TYR . 11.3 p -157.06 124.61 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.122 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.656 HD22 ' N ' ' A' ' 115' ' ' LEU . 1.5 mm? -91.63 156.94 17.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.633 HG11 HD12 ' A' ' 17' ' ' ILE . 81.3 t -139.14 123.78 20.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -78.0 110.96 13.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.597 HD12 HG22 ' A' ' 88' ' ' VAL . 4.9 mt -84.23 20.09 1.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -87.44 23.44 1.9 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.088 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.2 m -97.51 147.76 23.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -85.96 -14.24 45.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -70.17 -5.77 29.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 11.5 mt -55.76 -36.73 67.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.945 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -47.68 -38.25 14.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.101 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -94.35 -59.86 1.86 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 113.32 148.14 10.08 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 26.8 p90 -136.85 157.29 47.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.814 0.34 . . . . 0.0 110.937 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 85.6 m -132.65 126.97 33.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.123 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.423 ' HG2' ' CE1' ' A' ' 131' ' ' TYR . 16.8 pt20 -158.92 158.92 34.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' TRP . . . . . 0.49 ' CE2' ' HB2' ' A' ' 14' ' ' GLN . 72.1 m95 -86.85 99.57 11.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . 0.521 ' HD2' HD12 ' A' ' 15' ' ' LEU . 21.1 m-85 -67.45 102.11 1.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.46 ' N ' ' OD1' ' A' ' 132' ' ' ASP . 0.2 OUTLIER -63.18 114.01 3.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 179.905 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.678 HD22 ' C ' ' A' ' 112' ' ' GLY . 77.2 mt -61.89 143.08 56.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 77.1 p -127.05 173.28 9.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -79.02 161.78 26.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 10.4 p30 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.934 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.8 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 121.661 0.743 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -26.88 26.98 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.652 2.235 . . . . 0.0 112.353 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.702 HD11 ' HG3' ' A' ' 135' ' ' GLU . 89.6 mt -80.09 -51.88 8.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 152.3 -173.92 31.33 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.485 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -141.92 178.58 7.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.811 0.339 . . . . 0.0 110.895 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.6 tt -166.77 134.25 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.568 ' HB2' ' CZ2' ' A' ' 130' ' ' TRP . 22.2 tt0 -99.47 114.69 27.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.775 HD11 HG11 ' A' ' 95' ' ' VAL . 40.5 mt -131.16 127.84 38.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.0 m -97.12 102.86 14.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.488 ' CD1' HG11 ' A' ' 116' ' ' VAL . 80.5 mt -96.55 125.11 49.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.13 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -155.66 116.05 3.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 -97.62 106.29 18.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 24' ' ' ASN . 2.3 m -69.06 125.58 27.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 71.7 p -66.85 -55.05 16.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -55.47 -43.81 75.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.459 ' O ' ' CG ' ' A' ' 24' ' ' ASN . 32.8 mmt180 -84.96 -17.72 36.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 20' ' ' SER . 5.3 p-10 46.67 43.89 13.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.8 mttt -126.33 156.73 39.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.664 HD13 HG21 ' A' ' 88' ' ' VAL . 19.6 tp -101.34 102.67 13.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.921 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.422 HD12 ' N ' ' A' ' 27' ' ' ILE . 4.8 mp -92.53 130.09 42.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.42 HG11 ' SD ' ' A' ' 50' ' ' MET . 40.6 t -136.73 106.15 4.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.9 t -94.04 138.16 21.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 19.2 t -117.26 96.61 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.519 ' O ' HG23 ' A' ' 74' ' ' VAL . 93.4 m-70 -63.08 -74.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.565 ' HB1' ' O ' ' A' ' 73' ' ' PRO . . . -172.03 162.16 5.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.083 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 32.7 m -106.4 167.96 9.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 23.6 ptt180 -155.59 148.0 23.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 60.73 53.39 3.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.464 ' O ' ' C ' ' A' ' 37' ' ' ILE . 55.5 mt -99.41 88.02 3.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.63 HD11 HD22 ' A' ' 111' ' ' LEU . 2.7 pp -32.67 141.86 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 39' ' ' PHE . . . -114.78 113.64 24.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.08 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' A' ' 38' ' ' ALA . 3.4 t80 -38.27 -36.02 0.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 41.1 t -139.21 122.16 16.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -42.4 -28.73 0.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -52.86 -43.12 65.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 146.34 131.09 2.2 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.534 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.1 m -110.14 175.12 5.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.902 0.382 . . . . 0.0 110.849 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -114.4 78.33 4.69 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.572 0.701 . . . . 0.0 110.885 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.422 ' O ' HG23 ' A' ' 66' ' ' VAL . 53.9 Cg_endo -69.73 134.16 27.37 Favored 'Trans proline' 0 C--O 1.23 0.123 0 C-N-CA 122.679 2.253 . . . . 0.0 112.367 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.419 ' CB ' ' HB ' ' A' ' 66' ' ' VAL . 2.2 p90 -160.89 136.36 7.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.56 HG22 HG22 ' A' ' 97' ' ' VAL . 29.9 t -87.96 159.56 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.161 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.507 ' N ' HG12 ' A' ' 48' ' ' VAL . 11.4 ttm180 -145.16 130.11 18.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.42 ' SD ' HG11 ' A' ' 28' ' ' VAL . 64.2 mtm -113.89 142.48 46.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -151.18 127.61 10.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 52' ' ' LEU . 13.2 tp -84.02 89.11 7.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.528 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 4.1 mm? -66.92 156.05 88.42 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.602 0.715 . . . . 0.0 110.947 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.5 Cg_endo -69.8 -47.56 0.31 Allowed 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.674 -1.802 . . . . 0.0 112.322 -0.099 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 54' ' ' PRO . 6.7 m-20 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.83 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.875 0.369 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.1 pttp -126.94 171.26 11.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 67.1 p -97.33 163.98 12.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.413 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 80.9 m-70 -62.08 158.35 16.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 46' ' ' PRO . 2.3 p -111.28 116.4 52.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.075 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.1 m -98.43 115.46 28.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -85.77 157.33 20.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 42.7 mmtt 61.24 54.89 3.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.0 t -175.07 144.15 0.73 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.2 mp -104.55 -23.07 13.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.931 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -118.13 67.65 6.6 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.647 0.737 . . . . 0.0 110.936 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.565 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 54.1 Cg_endo -69.76 164.99 32.47 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.663 2.242 . . . . 0.0 112.34 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.538 HG23 ' HB2' ' A' ' 32' ' ' ALA . 4.8 p -149.25 136.12 12.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.413 ' CE1' ' O ' ' A' ' 65' ' ' HIS . 1.9 m-85 -123.58 -34.37 3.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.4 t70 50.39 38.17 17.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -105.6 148.91 26.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 27.5 t -124.53 133.69 53.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.443 ' CD1' ' N ' ' A' ' 79' ' ' PHE . 3.6 m-85 -115.85 169.34 9.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -153.57 148.01 26.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -139.31 131.68 28.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 51.5 p -73.44 92.37 1.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 6.7 p -143.44 135.02 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.123 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.479 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 0.9 OUTLIER -75.36 149.66 38.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 -179.804 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.605 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 4.6 tp -52.81 -44.72 96.74 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.631 0.729 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 64.1 Cg_exo -47.96 -41.0 33.31 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.705 2.27 . . . . 0.0 112.323 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -82.37 -57.82 3.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.664 HG21 HD13 ' A' ' 26' ' ' LEU . 0.9 OUTLIER -48.86 -30.15 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.117 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.408 ' OE1' ' HA ' ' A' ' 86' ' ' PRO . 59.6 mt-30 -55.98 -55.62 30.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 18.0 ptt180 -72.59 -22.81 60.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 49.0 mtt180 -74.9 173.31 10.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.404 HG23 ' O ' ' A' ' 116' ' ' VAL . 25.2 m -143.14 142.08 31.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.616 HD13 HD21 ' A' ' 26' ' ' LEU . 3.0 tp -87.65 101.31 13.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.923 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.48 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -75.62 97.6 3.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.824 179.879 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.775 HG11 HD11 ' A' ' 15' ' ' LEU . 16.4 t -107.65 100.95 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -121.96 131.79 54.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.079 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.56 HG22 HG22 ' A' ' 48' ' ' VAL . 86.3 t -113.96 101.52 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 8.0 pttp -130.67 -177.81 4.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 179.966 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 11.1 tp . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.823 0.344 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.63 HD22 HD11 ' A' ' 37' ' ' ILE . 24.7 mt -83.57 -56.06 3.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -160.5 154.28 25.28 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.473 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -155.95 159.38 39.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.834 0.35 . . . . 0.0 110.839 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.557 HG11 ' HB3' ' A' ' 131' ' ' TYR . 11.1 p -150.66 137.85 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -101.2 148.19 25.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.488 HG11 ' CD1' ' A' ' 17' ' ' ILE . 53.3 t -133.09 123.28 47.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -80.91 111.36 17.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 25.1 mt -84.73 20.05 1.88 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -89.64 22.96 2.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.084 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 30.5 t -101.48 147.79 25.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -80.6 -31.75 36.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.865 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -46.07 -22.61 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 18.0 mt -45.08 -45.6 11.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -40.66 -34.95 0.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -103.03 -46.82 4.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 102.43 157.77 25.88 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.48 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 29.0 p90 -146.02 154.66 42.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.846 0.355 . . . . 0.0 110.932 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 87.6 m -125.22 128.51 48.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.127 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -161.95 155.9 21.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' TRP . . . . . 0.568 ' CZ2' ' HB2' ' A' ' 14' ' ' GLN . 86.8 m95 -88.88 107.09 18.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.952 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . 0.557 ' HB3' HG11 ' A' ' 114' ' ' VAL . 28.5 m-85 -76.96 105.11 7.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.909 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.421 ' O ' ' CG ' ' A' ' 132' ' ' ASP . 0.8 OUTLIER -62.99 116.26 5.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.872 179.888 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.409 ' CD1' ' HB ' ' A' ' 97' ' ' VAL . 87.9 mt -65.39 124.55 22.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.688 ' HA ' HD12 ' A' ' 10' ' ' LEU . 73.3 p -115.74 165.0 13.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.702 ' HG3' HD11 ' A' ' 10' ' ' LEU . 43.9 mt-10 -70.59 155.57 40.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 3.9 t70 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.972 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 79.1 p . . . . . 0 C--O 1.232 0.141 0 CA-C-O 121.664 0.745 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -25.41 28.47 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.698 2.265 . . . . 0.0 112.34 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.482 HD22 ' O ' ' A' ' 111' ' ' LEU . 89.9 mt -92.71 -42.88 9.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 155.11 -179.54 31.05 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.473 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -140.48 158.62 43.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.759 0.314 . . . . 0.0 110.93 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.0 tt -150.59 138.62 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.077 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.483 ' HB2' ' CE2' ' A' ' 130' ' ' TRP . 38.3 tt0 -107.96 112.05 24.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.914 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.664 HD11 HG11 ' A' ' 95' ' ' VAL . 21.9 mt -127.79 136.1 51.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.977 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 90.6 m -102.4 109.48 21.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.17 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.51 ' CD1' HG11 ' A' ' 116' ' ' VAL . 4.9 mt -98.75 126.51 51.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -155.13 112.63 3.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.516 ' CE1' ' HB2' ' A' ' 85' ' ' LEU . 27.1 t-80 -103.39 102.42 12.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.0 t -70.05 143.36 52.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.829 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 76.6 p -85.84 -45.58 11.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.846 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.422 ' CD ' ' H ' ' A' ' 22' ' ' GLN . 2.0 pm0 -60.06 -21.26 61.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -112.01 -26.16 9.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.2 m120 59.0 42.9 18.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.5 mttt -123.57 164.36 19.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.497 HD21 HD13 ' A' ' 93' ' ' LEU . 16.8 tp -115.84 102.11 9.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.949 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.445 HD12 ' N ' ' A' ' 27' ' ' ILE . 4.3 mp -91.23 131.94 37.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.4 t -136.51 106.12 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.2 t -90.29 140.24 16.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.434 HG22 ' CD2' ' A' ' 15' ' ' LEU . 35.8 t -119.57 92.8 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.17 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -58.27 -74.94 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -175.03 157.92 2.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.063 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 57.6 m -107.47 169.14 8.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 23.5 ptt180 -162.39 174.67 12.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 48.64 50.32 17.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 74.0 mt -100.47 86.94 3.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.49 ' O ' HD12 ' A' ' 37' ' ' ILE . 1.8 pp -40.55 135.12 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.783 ' HB3' ' HA ' ' A' ' 41' ' ' GLU . . . -92.02 142.88 27.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.106 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -51.81 -41.73 61.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.8 t -128.91 21.66 5.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.783 ' HA ' ' HB3' ' A' ' 38' ' ' ALA . 23.4 mt-10 46.47 29.87 0.97 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -113.54 -37.43 4.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 153.51 108.27 0.34 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.491 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.8 m -111.4 172.67 6.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.868 0.366 . . . . 0.0 110.851 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.19 76.89 0.65 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.605 0.717 . . . . 0.0 110.86 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 136.85 34.13 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.669 2.246 . . . . 0.0 112.361 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.487 ' HB3' HG23 ' A' ' 66' ' ' VAL . 3.8 p90 -156.81 145.98 20.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.639 HG22 HG22 ' A' ' 97' ' ' VAL . 94.6 t -92.27 149.83 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.09 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.58 133.07 34.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.834 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 75.9 mtm -121.02 144.62 48.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -155.16 122.47 5.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.464 ' HG ' ' CZ ' ' A' ' 91' ' ' ARG . 8.4 tp -75.67 85.74 2.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.875 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.542 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 51.4 mt -64.92 150.99 94.19 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.63 0.729 . . . . 0.0 110.907 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 54.1 Cg_endo -69.74 -36.77 2.21 Favored 'Cis proline' 0 C--O 1.231 0.151 0 C-N-CA 122.727 -1.781 . . . . 0.0 112.393 -0.132 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 54' ' ' PRO . 10.6 t70 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.494 ' HG3' ' CE2' ' A' ' 81' ' ' PHE . 18.3 mmm180 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.875 0.369 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.4 pttt -141.39 169.32 17.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 22.2 p -99.18 154.88 17.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.149 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 21.4 p-80 -54.24 152.89 5.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.828 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.487 HG23 ' HB3' ' A' ' 47' ' ' TYR . 4.0 p -102.62 122.35 54.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.095 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.0 m -90.06 152.79 20.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 17.2 mtpt -117.34 144.96 44.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.1 mptt 61.91 50.29 4.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.4 t -162.79 137.31 6.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.174 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.6 mp -93.96 -29.55 15.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.953 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -112.98 79.16 3.3 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.609 0.718 . . . . 0.0 110.907 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.402 ' HB2' ' CZ ' ' A' ' 75' ' ' PHE . 53.5 Cg_endo -69.78 144.38 53.77 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.658 2.238 . . . . 0.0 112.376 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 91.8 t -117.46 139.73 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.147 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.402 ' CZ ' ' HB2' ' A' ' 73' ' ' PRO . 3.0 m-85 -133.02 -52.2 0.9 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.6 t70 54.68 32.33 17.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -103.03 151.2 22.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 31.3 t -121.74 134.01 54.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.438 ' CD2' ' HB3' ' A' ' 62' ' ' ARG . 32.7 m-85 -115.1 169.79 8.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -153.19 148.45 26.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.854 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.494 ' CE2' ' HG3' ' A' ' 62' ' ' ARG . 12.3 m-85 -139.19 125.04 19.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 36.1 p -72.93 89.66 1.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.855 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.8 p -143.64 135.3 23.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.14 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.449 ' C ' ' HD2' ' A' ' 86' ' ' PRO . 0.9 OUTLIER -73.77 144.03 45.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.834 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.597 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 4.0 tp -51.95 -44.69 92.22 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.595 0.712 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 66.3 Cg_exo -48.01 -33.64 21.06 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.706 2.271 . . . . 0.0 112.314 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -88.55 -59.02 2.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.635 HG22 HD12 ' A' ' 118' ' ' LEU . 1.8 p -48.78 -33.83 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.656 ' O ' ' HB2' ' A' ' 119' ' ' ALA . 14.2 mt-30 -53.03 -43.8 66.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.941 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 10.9 ptt180 -90.17 13.52 14.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.464 ' CZ ' ' HG ' ' A' ' 52' ' ' LEU . 45.2 mtp180 -115.27 179.43 3.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.476 HG23 ' O ' ' A' ' 116' ' ' VAL . 21.2 m -144.49 145.73 32.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.153 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.497 HD13 HD21 ' A' ' 26' ' ' LEU . 3.7 tp -93.2 105.05 17.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.41 ' OD2' HD11 ' A' ' 53' ' ' LEU . 5.6 t70 -70.74 100.04 1.81 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.879 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.664 HG11 HD11 ' A' ' 15' ' ' LEU . 18.6 t -115.71 102.8 14.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.107 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.586 ' HB1' ' CE ' ' A' ' 98' ' ' LYS . . . -125.64 129.83 50.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.121 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.639 HG22 HG22 ' A' ' 48' ' ' VAL . 96.1 t -108.48 103.08 14.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.158 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.586 ' CE ' ' HB1' ' A' ' 96' ' ' ALA . 3.0 ptpt -135.52 177.98 7.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.929 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 7.2 tp . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.87 0.367 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.482 ' O ' HD22 ' A' ' 10' ' ' LEU . 46.9 mt -87.63 -38.07 16.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.916 ' O ' HD22 ' A' ' 133' ' ' LEU . . . 177.83 123.65 0.81 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.435 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -127.85 163.3 24.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.836 0.351 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 12.6 p -157.26 131.34 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.156 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.474 ' HA ' HD13 ' A' ' 115' ' ' LEU . 2.6 mm? -100.61 138.13 38.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.95 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.51 HG11 ' CD1' ' A' ' 17' ' ' ILE . 85.7 t -120.26 129.58 75.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.175 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -85.59 114.07 22.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.635 HD12 HG22 ' A' ' 88' ' ' VAL . 6.8 mt -89.93 24.5 2.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.656 ' HB2' ' O ' ' A' ' 89' ' ' GLN . . . -90.85 15.79 10.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.07 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.1 m -97.46 158.79 15.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 123' ' ' LEU . 0.6 OUTLIER -85.47 -33.65 21.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.915 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -38.67 -28.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 121' ' ' GLU . 25.6 mt -45.12 -48.53 12.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.927 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 123' ' ' LEU . . . -35.83 -34.98 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 123' ' ' LEU . 45.3 mttp -105.93 -39.05 6.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 93.46 153.35 30.18 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.483 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 30.7 p90 -147.09 166.53 26.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.856 0.36 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 41.4 m -140.78 133.58 28.96 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.165 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.493 ' CG ' ' CE1' ' A' ' 131' ' ' TYR . 12.1 pt20 -161.53 159.36 27.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' TRP . . . . . 0.483 ' CE2' ' HB2' ' A' ' 14' ' ' GLN . 75.1 m95 -85.91 101.27 12.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . 0.493 ' CE1' ' CG ' ' A' ' 129' ' ' GLN . 30.1 m-85 -76.28 104.04 6.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -65.65 117.77 8.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.824 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.916 HD22 ' O ' ' A' ' 112' ' ' GLY . 11.9 mt -63.53 144.08 57.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 71.9 p -130.8 173.6 10.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.154 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -75.42 156.93 34.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 3.5 t70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 179.939 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.417 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . 77.3 p . . . . . 0 C--O 1.231 0.09 0 CA-C-O 121.671 0.748 . . . . 0.0 110.835 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 8' ' ' SER . 53.4 Cg_endo -69.82 -19.79 35.41 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.64 2.227 . . . . 0.0 112.355 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.751 HD22 ' O ' ' A' ' 111' ' ' LEU . 62.1 mt -91.47 -43.12 9.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 143.09 -168.46 26.06 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -147.25 164.63 32.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.821 0.343 . . . . 0.0 110.881 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.507 HD11 HD21 ' A' ' 15' ' ' LEU . 13.0 tt -152.65 135.17 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.525 ' HB2' ' CE2' ' A' ' 130' ' ' TRP . 10.0 tt0 -100.64 122.26 43.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.801 HD22 HG22 ' A' ' 30' ' ' VAL . 54.8 mt -135.17 123.75 23.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.4 m -89.05 98.0 11.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.136 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.45 ' CD1' HG11 ' A' ' 116' ' ' VAL . 11.9 mt -96.57 110.91 25.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.145 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.0 ttt180 -142.57 110.73 6.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.523 ' CE1' ' HA ' ' A' ' 24' ' ' ASN . 6.0 t-80 -98.01 119.37 36.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.478 ' O ' ' CE1' ' A' ' 19' ' ' HIS . 4.7 t -75.09 145.32 42.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 37.1 p -79.36 -55.18 5.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -60.61 -41.41 94.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.0 mtt-85 -84.13 -19.32 34.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.523 ' HA ' ' CE1' ' A' ' 19' ' ' HIS . 10.2 m120 45.11 48.8 9.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.7 mttt -128.83 147.68 50.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.714 HD13 HG21 ' A' ' 88' ' ' VAL . 12.9 tp -103.98 109.9 21.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.445 HD12 ' N ' ' A' ' 27' ' ' ILE . 4.9 mp -103.06 139.59 23.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.1 t -135.95 113.08 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.173 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.4 t -100.66 130.23 50.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.801 HG22 HD22 ' A' ' 15' ' ' LEU . 26.4 t -110.86 96.68 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -61.58 -72.76 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.513 ' HB1' ' O ' ' A' ' 73' ' ' PRO . . . -171.01 154.39 4.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.145 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.46 ' SG ' HD12 ' A' ' 13' ' ' ILE . 46.9 m -107.71 152.03 24.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.7 ptt180 -141.5 164.18 30.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 61.9 47.89 5.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.51 HD12 ' O ' ' A' ' 71' ' ' LEU . 97.6 mt -106.33 99.28 8.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.604 ' O ' HD12 ' A' ' 37' ' ' ILE . 2.5 pp -61.37 135.1 26.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.137 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -94.8 129.52 41.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -45.95 -25.15 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.6 t -152.29 127.31 9.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -39.53 -41.68 1.04 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -38.29 -46.41 1.09 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 134.72 140.67 4.29 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.476 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.4 m -124.59 175.24 7.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.885 0.374 . . . . 0.0 110.84 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -115.76 86.46 15.98 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.63 0.729 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 139.96 41.39 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.675 2.25 . . . . 0.0 112.324 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.502 ' CB ' HG22 ' A' ' 66' ' ' VAL . 4.2 p90 -149.31 134.47 18.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 59.7 t -84.53 144.18 10.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.142 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.6 ttt180 -125.22 145.16 50.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 63.4 mtm -135.12 122.43 21.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -135.05 122.5 21.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.8 tp -76.19 93.04 3.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.538 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 80.4 mt -71.21 154.49 93.82 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.6 0.714 . . . . 0.0 110.92 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 54.0 Cg_endo -69.72 -42.51 0.74 Allowed 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.351 -0.191 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 54' ' ' PRO . 19.5 m-20 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.907 0.384 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -146.57 171.05 15.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.919 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 43.2 p -96.31 172.2 8.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.166 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -57.73 158.46 6.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.502 HG22 ' CB ' ' A' ' 47' ' ' TYR . 75.2 t -103.98 105.23 18.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.0 m -82.41 149.29 27.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 57.5 mttt -123.77 163.21 21.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.8 mptt 48.03 41.63 15.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.865 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.7 t -160.94 140.22 10.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.11 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.51 ' O ' HD12 ' A' ' 36' ' ' LEU . 45.6 mt -97.88 -33.33 11.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -108.13 80.18 1.04 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.599 0.714 . . . . 0.0 110.926 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.513 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 53.6 Cg_endo -69.78 162.67 41.17 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.7 2.267 . . . . 0.0 112.35 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.46 ' O ' HG13 ' A' ' 74' ' ' VAL . 3.6 p -150.74 109.09 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.083 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -106.74 -26.57 11.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.3 t0 43.92 31.85 0.55 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -86.93 159.64 18.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 26.9 t -130.98 118.46 20.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.789 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.411 ' O ' HG23 ' A' ' 27' ' ' ILE . 12.9 m-85 -101.51 167.25 10.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -146.83 155.69 42.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -149.95 123.5 9.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 36.9 p -69.47 88.6 0.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.42 ' O ' ' NE2' ' A' ' 19' ' ' HIS . 3.3 p -143.87 133.77 20.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.094 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.478 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 0.8 OUTLIER -73.83 147.1 43.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.909 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.613 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 8.1 tp -53.86 -43.76 97.0 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.572 0.701 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 65.9 Cg_exo -47.95 -32.39 17.77 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.745 2.297 . . . . 0.0 112.328 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -90.99 -61.01 1.76 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.714 HG21 HD13 ' A' ' 26' ' ' LEU . 0.9 OUTLIER -43.03 -34.2 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.115 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.816 ' O ' ' HB2' ' A' ' 119' ' ' ALA . 67.8 mt-30 -50.66 -56.12 13.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.2 mtt-85 -69.94 -33.53 72.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 87.8 mtt-85 -66.87 170.3 6.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 28.6 m -137.32 144.21 42.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.111 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.827 ' HB2' HD21 ' A' ' 118' ' ' LEU . 6.0 tp -88.18 110.03 20.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.939 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -83.08 98.99 9.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.705 HG11 HD11 ' A' ' 15' ' ' LEU . 9.8 t -112.48 111.22 35.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -133.39 123.27 25.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.063 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 43.8 t -101.59 105.08 17.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.102 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.1 pttt -128.98 176.7 7.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 34.1 p-10 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.982 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.45 HD21 ' HG2' ' A' ' 113' ' ' LYS . 11.7 tp . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.825 0.345 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.751 ' O ' HD22 ' A' ' 10' ' ' LEU . 60.8 mt -61.57 -50.1 73.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.667 ' O ' HD22 ' A' ' 133' ' ' LEU . . . -176.15 136.83 3.41 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.477 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.45 ' HG2' HD21 ' A' ' 110' ' ' LEU . 17.1 ptmt -128.95 150.1 50.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.771 0.32 . . . . 0.0 110.914 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.531 HG13 ' O ' ' A' ' 114' ' ' VAL . 13.6 p -141.83 119.16 7.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.158 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -84.11 149.25 26.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.592 HG21 ' CE2' ' A' ' 131' ' ' TYR . 50.4 t -131.96 107.42 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.59 101.23 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.827 HD21 ' HB2' ' A' ' 93' ' ' LEU . 53.7 mt -65.46 -7.91 16.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.816 ' HB2' ' O ' ' A' ' 89' ' ' GLN . . . -82.62 37.43 0.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.7 m -79.13 -4.38 50.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 48.36 25.5 0.91 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -133.75 3.27 3.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.639 HD11 ' O ' ' A' ' 118' ' ' LEU . 10.3 mt -57.41 -13.38 3.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -68.62 -23.55 64.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.064 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -102.63 -46.23 4.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 95.16 141.46 11.75 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.469 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 27.5 p90 -140.9 156.28 46.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.82 0.343 . . . . 0.0 110.937 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 90.6 m -131.27 112.47 12.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.158 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.509 ' CG ' ' CE1' ' A' ' 131' ' ' TYR . 8.1 pt20 -142.7 163.45 32.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' TRP . . . . . 0.525 ' CE2' ' HB2' ' A' ' 14' ' ' GLN . 41.0 m95 -93.47 98.86 11.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . 0.592 ' CE2' HG21 ' A' ' 116' ' ' VAL . 19.3 m-85 -68.7 105.28 2.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.923 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -67.34 122.96 19.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.901 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.667 HD22 ' O ' ' A' ' 112' ' ' GLY . 60.6 mt -64.95 149.85 49.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 62.0 p -142.41 168.96 18.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -67.47 156.17 37.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.951 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.444 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . 86.5 p . . . . . 0 C--O 1.23 0.074 0 CA-C-O 121.687 0.756 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.444 ' HD2' ' HA ' ' A' ' 8' ' ' SER . 54.3 Cg_endo -69.68 -30.37 22.77 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.688 2.259 . . . . 0.0 112.367 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.86 HD22 ' O ' ' A' ' 111' ' ' LEU . 96.1 mt -77.96 -47.16 19.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.945 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 140.78 179.62 18.38 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.449 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -130.65 -176.96 4.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.757 0.313 . . . . 0.0 110.956 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.721 HD11 HD21 ' A' ' 15' ' ' LEU . 9.1 tt -168.32 146.03 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.166 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.413 ' HB2' ' CE2' ' A' ' 130' ' ' TRP . 29.0 tt0 -112.55 120.22 40.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.721 HD21 HD11 ' A' ' 13' ' ' ILE . 29.7 mt -132.56 123.68 26.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 94.4 m -91.13 106.56 18.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.785 ' CD1' HG11 ' A' ' 116' ' ' VAL . 14.4 mt -98.8 122.04 50.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.157 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 64.4 ttt-85 -150.04 108.22 3.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -97.89 111.32 23.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.835 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.8 t -73.68 120.63 19.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.861 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 78.3 p -71.07 -16.4 62.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.826 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -87.9 -40.23 14.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -89.52 -20.88 23.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.9 m120 61.72 37.5 15.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -124.4 163.21 22.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.1 tp -116.19 106.69 13.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.416 HD12 ' N ' ' A' ' 27' ' ' ILE . 4.2 mp -93.81 138.56 20.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.1 t -142.38 111.68 2.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.097 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 38.7 t -94.32 119.49 42.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.1 t -95.31 73.7 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -40.51 -74.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -175.06 166.91 3.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.111 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.403 ' SG ' HD12 ' A' ' 13' ' ' ILE . 66.0 m -120.96 151.15 40.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.0 ptt180 -140.61 168.33 20.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 58.48 47.56 13.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 58.4 mt -104.37 100.86 10.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.794 ' O ' HD12 ' A' ' 37' ' ' ILE . 2.8 pp -59.41 128.66 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.603 ' HB2' ' CD2' ' A' ' 71' ' ' LEU . . . -88.41 124.69 34.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.089 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -47.08 -22.28 0.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.6 t -147.52 142.15 26.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.832 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 42' ' ' ASP . 12.7 pt-20 -56.48 -49.44 74.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.443 ' N ' ' HG3' ' A' ' 41' ' ' GLU . 0.5 OUTLIER -36.8 -44.8 0.5 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 146.41 153.09 5.79 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.536 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.2 m -133.66 159.77 39.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.89 0.376 . . . . 0.0 110.84 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.1 83.55 2.33 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.623 0.725 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 153.97 68.04 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.677 2.251 . . . . 0.0 112.311 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -167.17 138.41 3.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.614 HG22 HG22 ' A' ' 97' ' ' VAL . 67.0 t -91.5 151.9 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.115 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -135.45 140.82 45.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 61.0 mtm -123.87 127.4 47.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -136.22 122.94 21.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.8 tp -78.43 98.98 6.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.939 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.537 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 78.9 mt -75.01 154.58 86.68 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.62 0.724 . . . . 0.0 110.912 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.5 Cg_endo -69.75 -38.17 1.72 Allowed 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.643 -1.815 . . . . 0.0 112.348 -0.153 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.462 ' C ' ' O ' ' A' ' 54' ' ' PRO . 3.5 m-20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.442 ' HG3' ' CD2' ' A' ' 79' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.876 0.369 . . . . 0.0 110.898 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.6 ptmt -134.67 168.92 18.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 27.9 p -100.43 171.44 7.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.41 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 13.1 m-70 -56.67 152.2 12.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 33.6 t -97.06 115.89 37.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.109 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.492 ' HB3' HG21 ' A' ' 70' ' ' THR . 4.9 m -84.91 139.14 32.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -114.1 143.53 44.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? 58.89 52.98 6.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.492 HG21 ' HB3' ' A' ' 67' ' ' SER . 0.8 OUTLIER -165.73 149.54 8.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.603 ' CD2' ' HB2' ' A' ' 38' ' ' ALA . 90.7 mt -105.7 -22.76 12.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -117.6 82.9 16.48 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.58 0.705 . . . . 0.0 110.896 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.455 ' HB2' ' CZ ' ' A' ' 75' ' ' PHE . 53.7 Cg_endo -69.76 138.78 38.62 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.684 2.256 . . . . 0.0 112.331 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 54.6 t -126.64 115.36 41.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.091 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.455 ' CZ ' ' HB2' ' A' ' 73' ' ' PRO . 7.7 m-85 -110.29 -61.02 1.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.4 t0 72.65 28.87 2.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -88.35 156.59 19.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.4 t -125.08 118.11 25.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.442 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 5.4 m-85 -108.08 149.85 27.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.886 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.09 153.84 50.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.831 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -142.65 126.46 17.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 48.2 p -70.79 91.52 0.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.6 p -143.6 133.93 21.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.075 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.469 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 1.0 OUTLIER -75.12 146.8 41.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.853 -179.834 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.609 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 4.3 tp -52.99 -44.4 96.87 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.63 0.729 . . . . 0.0 110.895 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 65.9 Cg_exo -47.97 -32.24 17.58 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.71 2.273 . . . . 0.0 112.333 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -92.56 -54.26 3.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.468 HG12 ' HA ' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -47.45 -34.74 3.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.426 ' OE1' ' HA ' ' A' ' 86' ' ' PRO . 74.1 mt-30 -55.48 -57.68 10.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -69.51 -23.44 63.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 12.8 mtp85 -81.08 174.54 11.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.465 HG22 ' N ' ' A' ' 93' ' ' LEU . 53.5 m -141.39 156.67 45.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.465 ' N ' HG22 ' A' ' 92' ' ' THR . 11.2 tp -99.76 111.36 23.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -84.31 102.49 12.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.704 HG11 HD11 ' A' ' 15' ' ' LEU . 23.5 t -110.79 100.65 11.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.125 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.53 ' HB1' ' CE ' ' A' ' 98' ' ' LYS . . . -117.73 117.01 28.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.614 HG22 HG22 ' A' ' 48' ' ' VAL . 64.8 t -100.24 108.05 22.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.165 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.53 ' CE ' ' HB1' ' A' ' 96' ' ' ALA . 0.1 OUTLIER -132.4 176.49 8.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.584 ' HB3' HD11 ' A' ' 111' ' ' LEU . 4.5 p30 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.419 ' CD2' ' HB2' ' A' ' 136' ' ' ASP . 3.2 tp . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.881 0.372 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.86 ' O ' HD22 ' A' ' 10' ' ' LEU . 3.9 mt -102.7 -30.62 10.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.771 ' C ' HD22 ' A' ' 133' ' ' LEU . . . -174.17 125.45 1.11 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.474 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.646 ' N ' HD22 ' A' ' 133' ' ' LEU . 12.3 ptmt -136.84 160.03 40.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 7.6 p -161.8 138.73 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.125 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -97.28 148.59 22.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.92 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.785 HG11 ' CD1' ' A' ' 17' ' ' ILE . 71.0 t -128.31 116.65 42.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.154 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -77.59 112.78 14.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.066 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.425 ' CD1' HG22 ' A' ' 88' ' ' VAL . 6.4 mt -90.08 25.92 2.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.876 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -93.38 26.94 2.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.075 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.7 m -91.19 -175.96 4.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.819 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -121.61 -6.54 9.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -89.08 17.84 5.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 27.7 mt -75.59 -29.49 59.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.949 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -54.06 -38.91 65.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.28 -46.4 5.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 105.96 159.59 22.55 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.503 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 25.1 p90 -148.03 161.95 40.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.826 0.346 . . . . 0.0 110.951 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 89.4 m -133.77 131.17 39.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.119 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -161.05 165.22 30.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' TRP . . . . . 0.413 ' CE2' ' HB2' ' A' ' 14' ' ' GLN . 71.9 m95 -97.13 117.19 30.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -90.78 102.97 15.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.943 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -61.16 116.68 4.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.771 HD22 ' C ' ' A' ' 112' ' ' GLY . 67.6 mt -65.09 146.69 54.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.942 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 59.3 p -133.88 -178.03 4.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.17 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -78.96 171.21 15.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . 0.419 ' HB2' ' CD2' ' A' ' 110' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.6 m . . . . . 0 C--O 1.232 0.145 0 CA-C-O 121.645 0.736 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -22.22 32.38 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.741 2.294 . . . . 0.0 112.315 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.729 HD22 ' O ' ' A' ' 111' ' ' LEU . 91.6 mt -89.35 -48.93 7.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 142.86 -177.19 22.02 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.519 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -136.38 -179.07 5.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.716 0.293 . . . . 0.0 110.932 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.634 HD12 ' SG ' ' A' ' 33' ' ' CYS . 16.7 tt -166.0 137.95 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -105.85 119.63 39.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.3 mt -135.11 140.03 45.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 93.9 m -104.54 104.19 13.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.179 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 61.2 mt -98.8 119.78 47.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.126 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.8 ttm105 -147.73 116.03 6.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.479 ' CE1' ' HB2' ' A' ' 85' ' ' LEU . 28.5 t-80 -99.74 102.36 13.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.4 t -70.68 137.81 50.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.899 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 63.8 p -82.91 -40.24 20.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -66.9 -14.56 62.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.921 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.7 mmm-85 -119.25 -29.92 5.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.1 m120 62.69 44.63 6.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.7 mttt -131.65 147.13 52.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.512 HD21 HD13 ' A' ' 93' ' ' LEU . 24.6 tp -101.26 108.17 19.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.7 mp -97.64 130.26 46.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.114 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.9 t -132.06 112.86 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.3 t -96.83 132.32 41.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.092 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.7 t -106.38 91.64 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.413 ' O ' HG23 ' A' ' 74' ' ' VAL . 98.3 m-70 -56.34 -73.15 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.443 ' HB1' ' O ' ' A' ' 73' ' ' PRO . . . -172.24 159.1 4.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.092 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.634 ' SG ' HD12 ' A' ' 13' ' ' ILE . 63.2 m -111.31 143.98 41.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -133.81 172.11 13.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.494 HD22 ' N ' ' A' ' 35' ' ' ASN . 1.4 m-80 51.88 44.19 29.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.506 HD11 ' CB ' ' A' ' 33' ' ' CYS . 86.5 mt -101.02 93.0 5.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.423 HD12 ' C ' ' A' ' 37' ' ' ILE . 2.5 pp -53.98 150.11 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -110.66 131.94 54.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -51.85 -29.07 18.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 41' ' ' GLU . 4.2 t -144.68 117.48 8.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 40' ' ' SER . 7.6 mm-40 -34.44 -44.79 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 41' ' ' GLU . 10.9 t0 -35.32 -49.08 0.5 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.88 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 152.14 153.16 6.16 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.0 p -138.94 158.7 43.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.846 0.355 . . . . 0.0 110.859 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.74 84.13 3.96 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.585 0.707 . . . . 0.0 110.831 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 140.68 43.29 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.71 2.274 . . . . 0.0 112.323 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -148.01 133.43 18.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.633 HG22 HG22 ' A' ' 97' ' ' VAL . 58.6 t -92.24 144.49 9.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.173 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.431 ' HD2' ' C ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -134.09 150.02 51.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 67.4 mtm -137.85 151.81 48.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -148.91 167.55 25.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.405 ' O ' ' O ' ' A' ' 55' ' ' ASP . 15.3 tp -123.34 87.89 2.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.536 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 45.3 mt -66.22 153.2 92.82 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.598 0.713 . . . . 0.0 110.904 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.6 Cg_endo -69.78 -46.77 0.34 Allowed 'Cis proline' 0 C--O 1.232 0.177 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.346 -0.1 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.873 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.571 ' HG3' ' CE2' ' A' ' 81' ' ' PHE . 28.3 mmt-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.885 0.374 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.3 pttt -137.77 169.23 18.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 49.3 p -96.49 156.48 16.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.163 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.409 ' CD2' ' H ' ' A' ' 66' ' ' VAL . 13.2 t-80 -53.2 156.29 2.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.409 ' H ' ' CD2' ' A' ' 65' ' ' HIS . 59.5 t -95.11 108.4 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.8 m -90.26 146.93 23.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 72.0 mttt -119.16 165.3 14.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp 47.56 53.33 11.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.3 t -169.15 128.51 1.04 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 71' ' ' LEU . 21.0 mt -89.52 -30.86 17.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 14.0 p-10 -115.07 78.22 5.5 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.65 0.738 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.443 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 53.7 Cg_endo -69.81 162.78 40.79 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.649 2.233 . . . . 0.0 112.368 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.428 HG23 ' HB2' ' A' ' 32' ' ' ALA . 2.6 p -150.36 120.15 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.476 ' O ' ' N ' ' A' ' 77' ' ' GLN . 1.4 m-85 -114.76 -21.75 10.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 75' ' ' PHE . 1.5 m-20 36.56 30.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 75' ' ' PHE . 5.1 tt0 -82.77 164.58 20.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.8 t -130.39 117.82 20.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -102.74 174.49 5.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -154.6 153.39 31.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.571 ' CE2' ' HG3' ' A' ' 62' ' ' ARG . 51.0 m-85 -143.26 118.42 10.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 52.5 p -68.91 88.82 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.833 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.41 HG12 ' O ' ' A' ' 81' ' ' PHE . 2.4 p -143.83 134.21 21.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.112 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.476 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 1.4 m -73.87 146.51 44.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.842 HD13 ' C ' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -50.71 -44.91 85.81 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.612 0.72 . . . . 0.0 110.946 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.72 ' N ' HD13 ' A' ' 85' ' ' LEU . 65.0 Cg_exo -48.0 -41.66 32.85 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.718 2.279 . . . . 0.0 112.335 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 89' ' ' GLN . 33.6 mt-10 -82.57 -57.3 3.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.461 HG12 ' O ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -40.81 -24.45 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.163 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.739 ' NE2' HD11 ' A' ' 85' ' ' LEU . 62.0 mt-30 -61.16 -57.78 11.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.5 mtp-105 -73.36 -18.87 61.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 41.2 mtt180 -80.84 168.08 19.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.406 HG22 ' N ' ' A' ' 93' ' ' LEU . 97.8 m -139.51 153.06 47.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.122 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.512 HD13 HD21 ' A' ' 26' ' ' LEU . 4.9 tp -97.96 101.83 13.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.63 102.81 5.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 11.3 t -112.63 110.65 32.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.43 ' HB1' ' CE ' ' A' ' 98' ' ' LYS . . . -128.99 124.95 36.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.084 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.633 HG22 HG22 ' A' ' 48' ' ' VAL . 75.8 t -104.44 103.42 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.553 ' HE2' HD13 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -116.58 -177.51 3.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.843 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.593 ' HB3' HD11 ' A' ' 111' ' ' LEU . 12.4 p-10 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.553 HD13 ' HE2' ' A' ' 98' ' ' LYS . 7.0 tp . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.828 0.347 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.729 ' O ' HD22 ' A' ' 10' ' ' LEU . 96.0 mt -92.03 -45.65 8.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.435 ' C ' HD22 ' A' ' 133' ' ' LEU . . . -173.23 145.85 8.6 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.478 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -150.49 150.2 30.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.831 0.348 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 7.2 p -145.43 130.18 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -93.79 148.66 21.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 96.2 t -131.19 117.75 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -74.78 109.68 8.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 21.7 mt -85.66 25.2 1.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -90.55 23.76 2.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.074 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.8 t -101.35 159.87 14.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -90.64 -33.03 15.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -43.33 -24.47 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 124' ' ' ALA . 18.6 mt -44.25 -48.1 9.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 123' ' ' LEU . . . -37.27 -34.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 179.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -105.57 -42.99 5.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 98.72 160.64 29.83 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.443 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 30.3 p90 -147.42 171.81 14.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.865 0.364 . . . . 0.0 110.872 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 89.4 m -144.11 123.68 13.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -157.95 166.88 31.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' TRP . . . . . . . . . . . . . 80.7 m95 -91.78 109.41 20.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -79.92 103.84 10.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.968 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.88 120.53 10.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.83 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.435 HD22 ' C ' ' A' ' 112' ' ' GLY . 51.4 mt -69.0 155.24 40.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.938 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.584 ' HA ' HD12 ' A' ' 10' ' ' LEU . 34.6 p -147.94 161.47 41.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.449 ' HG3' HD11 ' A' ' 10' ' ' LEU . 29.8 mt-10 -74.24 158.98 33.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . 0.444 ' HB2' ' CD2' ' A' ' 110' ' ' LEU . 14.0 t0 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.9 p -128.06 139.0 52.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.886 0.374 . . . . 0.0 110.906 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.8 m -69.91 123.55 21.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.04 -136.32 2.91 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.436 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 m -50.04 153.8 1.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.904 0.383 . . . . 0.0 110.879 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.4 m -124.17 99.14 6.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.82 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.13 -152.25 18.17 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.437 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.4 m -119.32 83.17 25.13 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.69 0.757 . . . . 0.0 110.865 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -31.07 21.26 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.702 2.268 . . . . 0.0 112.356 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 134' ' ' THR . 50.9 mt -62.78 -46.72 86.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 134.7 176.78 14.53 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.513 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -134.52 -176.34 4.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.758 0.313 . . . . 0.0 110.937 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.625 HD12 ' SG ' ' A' ' 33' ' ' CYS . 12.3 tt -169.24 141.75 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.551 ' OE1' ' CD1' ' A' ' 130' ' ' TRP . 5.1 tt0 -109.98 120.33 42.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.741 HD11 HG11 ' A' ' 95' ' ' VAL . 48.5 mt -132.01 123.31 27.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 45.7 m -88.31 105.09 17.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 58.9 mt -97.56 126.63 50.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.151 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.2 ttt180 -151.6 109.37 3.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 -102.95 117.0 33.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.6 t -83.89 136.07 34.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.6 t -79.11 -33.94 43.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.838 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.442 ' OE1' ' NH1' ' A' ' 23' ' ' ARG . 47.0 tt0 -67.48 -48.61 66.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.98 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.442 ' NH1' ' OE1' ' A' ' 22' ' ' GLN . 7.1 mpt_? -86.78 -10.84 52.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 47.49 48.91 16.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -130.15 157.65 41.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 49.1 tp -111.85 106.98 15.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.945 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.413 HD12 ' N ' ' A' ' 27' ' ' ILE . 4.0 mp -95.37 130.24 44.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.15 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.9 t -136.08 114.49 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.156 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.429 HG13 ' O ' ' A' ' 77' ' ' GLN . 20.8 t -99.44 135.92 32.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.138 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.543 ' HA ' HD23 ' A' ' 15' ' ' LEU . 11.3 t -108.71 81.73 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -46.6 -74.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -175.04 169.9 3.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.126 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.625 ' SG ' HD12 ' A' ' 13' ' ' ILE . 14.8 m -120.41 155.13 34.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.919 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -143.93 164.69 29.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.818 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 56.03 44.46 25.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.4 mt -98.58 94.0 6.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.61 ' O ' HD12 ' A' ' 37' ' ' ILE . 2.7 pp -51.43 141.48 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.139 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.539 ' HB2' ' CD2' ' A' ' 71' ' ' LEU . . . -105.52 129.07 53.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.089 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -54.39 -18.52 4.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.9 t -154.91 122.92 5.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -46.07 -39.05 8.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -38.61 -48.0 1.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 154.58 132.85 1.68 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.433 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.487 ' HB3' ' HB1' ' A' ' 38' ' ' ALA . 10.8 p -117.61 159.28 23.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.829 0.347 . . . . 0.0 110.872 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.28 81.71 10.96 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.633 0.73 . . . . 0.0 110.876 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 147.03 62.04 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.685 2.257 . . . . 0.0 112.367 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.414 ' HB3' HG22 ' A' ' 66' ' ' VAL . 14.6 p90 -158.67 144.6 16.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.942 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.565 HG22 HG22 ' A' ' 97' ' ' VAL . 62.7 t -94.66 140.1 17.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.102 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.475 ' NE ' ' CD1' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -121.96 124.9 45.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 40.3 mtm -112.69 125.48 54.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.475 ' CD1' ' NE ' ' A' ' 49' ' ' ARG . 5.4 m-85 -134.41 133.17 40.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.891 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 52' ' ' LEU . 6.4 tp -88.69 92.02 9.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.962 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.533 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 2.3 mm? -69.77 154.94 94.31 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.62 0.724 . . . . 0.0 110.909 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.6 Cg_endo -69.78 -40.05 1.19 Allowed 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.322 -0.103 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 54' ' ' PRO . 1.8 m-20 -36.57 119.85 0.65 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 57' ' ' ARG . 33.6 mtmt -122.07 13.16 10.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 56' ' ' LYS . 50.3 mtt180 -35.43 136.49 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 77.6 mtm-85 -85.45 26.81 0.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.2 p -108.64 -47.27 3.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.829 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -85.0 15.36 44.04 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.498 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.3 ttm180 -51.86 116.77 2.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 0.0 110.86 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 17.5 mmt180 -118.08 110.36 17.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.5 ptmm? -132.35 166.09 22.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 57.0 p -96.66 170.08 9.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 47.9 t60 -52.8 156.21 2.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.414 HG22 ' HB3' ' A' ' 47' ' ' TYR . 90.5 t -106.51 103.0 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 61.6 m -71.2 143.16 50.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.838 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.8 mtpt -117.45 144.97 44.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.905 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 35.8 mmtm 59.06 49.82 8.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.0 t -165.16 146.81 7.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.1 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.539 ' CD2' ' HB2' ' A' ' 38' ' ' ALA . 66.4 mt -102.32 -29.18 11.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.974 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 24.5 p30 -109.21 80.99 1.52 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.64 0.733 . . . . 0.0 110.945 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.446 ' HB2' ' CZ ' ' A' ' 75' ' ' PHE . 53.7 Cg_endo -69.75 152.14 69.31 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.736 2.291 . . . . 0.0 112.32 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 60.0 t -136.79 120.85 23.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.446 ' CZ ' ' HB2' ' A' ' 73' ' ' PRO . 0.9 OUTLIER -118.44 -38.52 3.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 45.84 32.4 1.27 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.856 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.429 ' O ' HG13 ' A' ' 29' ' ' VAL . 25.0 mt-30 -91.67 165.83 13.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 40.7 t -131.02 127.15 37.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -109.58 168.39 9.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -150.45 150.21 31.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -145.56 121.97 10.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 33.2 p -69.62 91.27 0.59 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.896 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.7 p -143.51 134.81 22.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.135 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.49 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 0.8 OUTLIER -73.77 148.53 42.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.835 -179.836 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.621 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 3.9 tp -54.83 -43.65 98.82 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.579 0.704 . . . . 0.0 110.929 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 65.5 Cg_exo -48.01 -35.29 25.04 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.667 2.244 . . . . 0.0 112.314 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -88.89 -62.76 1.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.536 HG12 ' HA ' ' A' ' 85' ' ' LEU . 1.4 p -43.76 -25.05 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.073 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.423 ' OE1' ' HA ' ' A' ' 86' ' ' PRO . 61.1 mt-30 -62.63 -57.63 10.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -76.18 -2.38 30.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 33.6 mtp180 -97.63 173.57 7.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.51 HG23 ' O ' ' A' ' 116' ' ' VAL . 4.4 m -138.85 152.71 48.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.2 tp -103.52 97.44 7.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.424 ' CB ' HD21 ' A' ' 53' ' ' LEU . 10.0 t70 -70.12 104.75 2.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.741 HG11 HD11 ' A' ' 15' ' ' LEU . 24.4 t -113.83 101.86 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.101 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.514 ' HB1' ' HZ2' ' A' ' 98' ' ' LYS . . . -119.06 133.35 55.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.167 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.565 HG22 HG22 ' A' ' 48' ' ' VAL . 98.8 t -108.64 98.7 7.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.143 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.514 ' HZ2' ' HB1' ' A' ' 96' ' ' ALA . 13.9 mttp -113.14 176.17 5.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.725 ' HB3' HD11 ' A' ' 111' ' ' LEU . 25.5 p-10 -109.04 127.95 54.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 37.2 t -80.0 47.42 0.88 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.828 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -92.07 63.98 2.39 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.485 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -84.13 39.19 2.87 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.512 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -113.29 105.57 13.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.859 0.362 . . . . 0.0 110.919 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.418 HD22 ' N ' ' A' ' 104' ' ' LEU . 3.8 mm? 61.44 42.28 11.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -132.79 -52.85 0.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm 71.21 36.94 1.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.858 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -161.71 158.04 25.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.403 ' H ' ' CD ' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -82.21 -23.98 35.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 50.11 81.75 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.515 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 11.1 tp -69.6 116.64 10.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.808 0.337 . . . . 0.0 110.89 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.725 HD11 ' HB3' ' A' ' 99' ' ' ASN . 14.5 mt -87.78 -43.45 11.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.44 ' C ' HD22 ' A' ' 133' ' ' LEU . . . -172.57 146.82 9.4 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.519 ' CA ' HD22 ' A' ' 133' ' ' LEU . 14.6 ptmt -151.68 148.33 27.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.807 0.336 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.471 HG21 ' HB3' ' A' ' 131' ' ' TYR . 7.6 p -142.89 141.95 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.104 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -104.43 144.84 31.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.51 ' O ' HG23 ' A' ' 92' ' ' THR . 84.0 t -126.57 133.75 67.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -89.62 112.9 24.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.04 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.442 ' CD1' HG22 ' A' ' 88' ' ' VAL . 26.7 mt -87.54 23.06 2.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -89.02 27.75 1.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.097 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 42.3 t -96.99 155.0 16.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.825 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -94.26 -23.67 17.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -83.55 37.29 0.57 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 15.1 mt -85.14 -37.08 20.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -50.29 -43.43 53.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 34.1 mttp -75.45 -48.55 22.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 96.09 151.11 27.8 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.498 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 21.0 p90 -141.51 163.63 32.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.828 0.347 . . . . 0.0 110.937 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 18.0 m -132.75 127.18 34.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.187 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -158.86 162.4 36.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.959 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' TRP . . . . . 0.551 ' CD1' ' OE1' ' A' ' 14' ' ' GLN . 78.0 m95 -95.78 110.27 22.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.471 ' HB3' HG21 ' A' ' 114' ' ' VAL . 26.5 m-85 -81.34 101.83 10.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.948 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.61 112.2 1.9 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.519 HD22 ' CA ' ' A' ' 113' ' ' LYS . 57.8 mt -61.81 146.16 50.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.956 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.471 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.1 p -135.77 172.6 12.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -67.68 167.35 13.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -57.95 -44.24 86.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.821 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 30.0 t -40.7 100.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -178.05 157.02 20.86 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.493 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 135.79 31.36 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.711 2.274 . . . . 0.0 112.322 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 69.8 m -108.51 78.0 1.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.821 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 41.0 t -85.15 70.43 10.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.842 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.48 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.8 m -48.73 172.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.845 0.355 . . . . 0.0 110.868 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.6 m -97.47 126.78 42.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.91 83.67 0.34 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.513 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.4 p -70.29 88.41 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.896 0.379 . . . . 0.0 110.82 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -89.09 127.01 35.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.848 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.72 -162.38 9.13 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.479 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.8 m -130.03 117.9 18.29 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.692 0.758 . . . . 0.0 110.863 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -30.22 22.77 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.686 2.257 . . . . 0.0 112.335 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.52 HD22 ' O ' ' A' ' 111' ' ' LEU . 42.6 mt -93.92 -39.61 10.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.978 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 140.88 -167.37 25.65 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -144.05 171.12 14.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.813 0.34 . . . . 0.0 110.9 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.3 tt -158.06 142.33 7.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.155 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.489 ' HB2' ' CE2' ' A' ' 130' ' ' TRP . 30.4 tt0 -111.9 116.33 30.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.792 HD11 HG11 ' A' ' 95' ' ' VAL . 8.9 mt -129.18 127.06 40.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.956 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 90.1 m -92.29 104.56 16.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.486 HD12 HG11 ' A' ' 116' ' ' VAL . 51.3 mt -97.28 123.88 49.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.16 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.6 ttt-85 -150.59 106.79 3.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 -99.66 123.97 44.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.0 t -93.22 135.86 34.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 90.6 p -74.42 -54.57 7.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.826 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -56.52 -43.13 79.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.956 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.446 ' O ' ' CG ' ' A' ' 24' ' ' ASN . 39.5 mtt-85 -85.36 -18.6 33.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.446 ' CG ' ' O ' ' A' ' 23' ' ' ARG . 6.8 p-10 46.23 40.65 7.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.1 mttt -123.93 141.87 51.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 48.1 tp -99.07 112.91 24.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.97 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.9 mp -103.53 129.5 55.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 50.8 t -133.99 112.75 16.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 43.3 t -97.23 140.58 17.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.6 t -114.76 77.61 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.13 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -44.16 -73.07 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -174.64 163.09 3.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.8 m -114.39 154.39 28.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -141.6 165.95 26.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 55.26 42.9 29.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 37.7 mt -98.14 87.72 4.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.663 HD12 ' C ' ' A' ' 37' ' ' ILE . 1.8 pp -45.96 151.39 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -116.23 127.59 54.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -48.57 -24.54 1.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.6 t -145.53 118.67 8.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 42' ' ' ASP . 11.2 pt-20 -39.09 -45.13 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 41' ' ' GLU . 8.1 t70 -35.69 -50.43 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 158.62 148.47 5.19 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.517 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.3 p -131.97 155.9 47.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.908 0.385 . . . . 0.0 110.845 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.92 80.85 1.36 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.634 0.731 . . . . 0.0 110.851 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 144.7 55.0 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.665 2.243 . . . . 0.0 112.398 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.449 ' CB ' HG22 ' A' ' 66' ' ' VAL . 2.7 p90 -157.99 133.87 9.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.754 HG22 HG22 ' A' ' 97' ' ' VAL . 77.1 t -85.47 143.46 11.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.118 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 19.0 ttm180 -125.96 131.5 52.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 58.0 mtm -116.17 137.52 52.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -152.29 113.38 4.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.3 tp -73.15 93.45 1.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.586 HD23 ' HG3' ' A' ' 56' ' ' LYS . 72.8 mt -65.32 152.36 92.09 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.609 0.719 . . . . 0.0 110.918 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.5 Cg_endo -69.76 -34.96 2.87 Favored 'Cis proline' 0 C--N 1.341 0.152 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.345 -0.146 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 54' ' ' PRO . 2.3 m-20 -35.88 109.37 0.09 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.586 ' HG3' HD23 ' A' ' 53' ' ' LEU . 22.4 mtpt -125.0 14.92 8.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 33.1 mtt85 -63.29 135.15 56.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.06 -17.82 64.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.824 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.2 m -48.32 -69.41 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -92.62 48.82 2.57 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.528 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -85.91 139.55 31.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.83 0.348 . . . . 0.0 110.836 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.44 ' HB3' ' CD2' ' A' ' 79' ' ' PHE . 66.4 mmt-85 -136.23 112.21 9.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt -130.72 170.39 14.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 41.6 p -96.32 160.02 14.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 63.9 m-70 -53.04 167.84 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.873 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.449 HG22 ' CB ' ' A' ' 47' ' ' TYR . 95.4 t -110.18 109.43 28.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.502 ' OG ' HG23 ' A' ' 70' ' ' THR . 11.8 p -72.82 148.13 44.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 17.4 mtpt -121.21 140.66 51.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.943 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? 56.63 50.61 12.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.502 HG23 ' OG ' ' A' ' 67' ' ' SER . 4.3 t -163.38 142.8 8.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.153 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 72.3 mt -98.59 -31.11 12.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -108.89 81.65 1.57 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.628 0.728 . . . . 0.0 110.871 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.559 ' HB2' ' CZ ' ' A' ' 75' ' ' PHE . 53.5 Cg_endo -69.76 146.34 59.87 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.677 2.251 . . . . 0.0 112.376 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 63.1 t -131.03 115.71 30.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.559 ' CZ ' ' HB2' ' A' ' 73' ' ' PRO . 1.4 m-85 -113.59 -38.12 4.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.8 t70 46.91 35.35 3.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -89.99 161.16 16.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.97 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 27.9 t -130.51 118.18 20.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.839 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.44 ' CD2' ' HB3' ' A' ' 62' ' ' ARG . 15.4 m-85 -103.26 160.37 14.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -140.87 152.49 45.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.462 ' O ' HG12 ' A' ' 83' ' ' VAL . 4.9 m-85 -149.37 118.25 6.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 42.7 p -68.75 91.07 0.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.846 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.462 HG12 ' O ' ' A' ' 81' ' ' PHE . 2.0 p -143.28 136.34 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.109 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.439 ' C ' ' HD2' ' A' ' 86' ' ' PRO . 4.1 m -75.09 139.25 42.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.59 ' HA ' HG12 ' A' ' 88' ' ' VAL . 2.0 tp -46.25 -47.53 45.34 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.625 0.726 . . . . 0.0 110.884 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.554 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 65.3 Cg_exo -47.99 -30.81 14.56 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.735 2.29 . . . . 0.0 112.31 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -91.44 -43.45 9.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.904 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.59 HG12 ' HA ' ' A' ' 85' ' ' LEU . 1.0 OUTLIER -64.81 -19.79 26.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.156 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.581 ' HG3' HD12 ' A' ' 85' ' ' LEU . 80.1 mt-30 -64.87 -55.95 16.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -73.82 -7.06 50.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -95.27 173.54 7.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.539 ' CG2' HD12 ' A' ' 115' ' ' LEU . 62.2 m -143.65 146.05 32.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.5 tp -91.21 104.18 16.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -74.35 100.2 3.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.792 HG11 HD11 ' A' ' 15' ' ' LEU . 21.6 t -111.32 100.88 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -116.99 124.84 50.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.754 HG22 HG22 ' A' ' 48' ' ' VAL . 53.8 t -104.72 117.84 51.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.59 -176.5 5.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -92.5 141.01 28.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.943 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 72.5 p -66.12 154.41 39.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -109.22 -86.93 1.82 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.474 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 129.2 -133.2 7.45 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 14.4 p90 -130.69 17.46 5.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.924 0.393 . . . . 0.0 110.856 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 6.5 mt -98.69 -34.02 10.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 61.5 m -120.14 -174.88 2.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.78 -3.57 4.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.912 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -96.04 151.89 19.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.31 -29.92 7.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 46.01 83.09 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.466 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.53 HD11 ' HB3' ' A' ' 113' ' ' LYS . 5.1 tp -67.01 127.73 33.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.85 0.357 . . . . 0.0 110.874 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.52 ' O ' HD22 ' A' ' 10' ' ' LEU . 42.4 mt -88.35 -31.04 19.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -178.23 148.0 8.28 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.519 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.53 ' HB3' HD11 ' A' ' 110' ' ' LEU . 7.9 ptmm? -151.02 147.92 27.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.797 0.332 . . . . 0.0 110.94 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 12.1 p -147.84 129.04 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.124 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.539 HD12 ' CG2' ' A' ' 92' ' ' THR . 4.5 mm? -93.67 144.24 25.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.486 HG11 HD12 ' A' ' 17' ' ' ILE . 95.5 t -124.67 118.95 54.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.081 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -77.92 108.16 10.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.466 ' CD1' HG22 ' A' ' 88' ' ' VAL . 5.9 mt -84.21 24.88 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -84.47 24.22 1.02 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.054 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 46.2 t -85.72 178.87 7.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.855 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -124.15 -21.19 5.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -83.23 17.46 2.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 9.6 mt -59.67 -47.82 84.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -45.14 -33.75 2.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.11 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 11.5 mmmt -83.73 -29.66 27.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 73.82 150.9 1.85 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.517 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 21.4 p90 -148.22 165.69 30.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.787 0.327 . . . . 0.0 110.939 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 93.2 m -135.44 130.19 34.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.115 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -161.21 156.12 23.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' TRP . . . . . 0.489 ' CE2' ' HB2' ' A' ' 14' ' ' GLN . 86.5 m95 -89.56 116.23 27.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -88.66 99.66 12.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.949 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -54.42 125.12 18.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 28.8 mt -73.68 141.97 46.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.452 ' C ' ' CD1' ' A' ' 10' ' ' LEU . 82.4 p -125.34 -179.67 4.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.168 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -79.81 173.7 12.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.14 106.21 18.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 56.3 p -67.64 125.69 26.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 81.92 171.52 46.09 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.472 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -44.19 2.21 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.68 2.253 . . . . 0.0 112.341 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 7.4 t -54.31 98.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 8.3 t -78.03 92.84 4.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.521 -179.985 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.0 p -131.34 126.53 35.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.898 0.38 . . . . 0.0 110.873 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.8 p -96.73 163.37 13.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.21 -64.19 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.49 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.1 p -131.03 -53.45 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.883 0.373 . . . . 0.0 110.828 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -103.03 105.14 15.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.826 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.82 -75.48 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.512 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.467 ' CB ' ' HG3' ' A' ' 12' ' ' GLN . 20.3 m -107.2 92.54 8.09 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.677 0.751 . . . . 0.0 110.902 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -21.07 34.13 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.666 2.244 . . . . 0.0 112.339 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.684 HD12 ' HA ' ' A' ' 134' ' ' THR . 92.3 mt -93.5 -47.94 6.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 155.4 163.49 12.18 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.498 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.467 ' HG3' ' CB ' ' A' ' 8' ' ' SER . 23.0 mt-30 -125.25 166.7 16.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.762 0.315 . . . . 0.0 110.944 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.41 HG23 ' O ' ' A' ' 13' ' ' ILE . 18.6 tt -159.03 128.92 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.525 ' NE2' ' NE1' ' A' ' 130' ' ' TRP . 29.9 tt0 -102.11 123.19 45.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.658 HD11 HG11 ' A' ' 95' ' ' VAL . 6.2 mt -136.39 139.67 42.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 88.9 m -103.75 104.61 14.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.556 ' CD1' HG11 ' A' ' 116' ' ' VAL . 25.0 mt -98.8 116.47 41.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 36.6 ttt180 -147.64 106.31 3.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.452 ' CE1' ' HB2' ' A' ' 85' ' ' LEU . 11.4 t-80 -98.4 117.23 32.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.829 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 24' ' ' ASN . 5.1 t -83.51 125.47 31.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.43 ' O ' ' ND2' ' A' ' 24' ' ' ASN . 35.9 t -66.28 -53.73 33.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -50.26 -51.14 47.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.963 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.7 mtm180 -82.23 -21.44 36.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.493 ' N ' ' O ' ' A' ' 20' ' ' SER . 0.9 OUTLIER 54.58 53.98 9.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.894 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.8 mttt -135.64 153.08 51.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.9 tp -110.99 105.97 14.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.1 mp -97.07 130.63 45.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 28.8 t -132.28 116.25 28.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.108 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.3 t -102.14 131.03 51.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.119 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 20.3 t -105.91 77.88 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.153 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -41.11 -74.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -174.98 161.6 2.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.608 ' HB3' HD11 ' A' ' 36' ' ' LEU . 71.9 m -107.46 160.69 15.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -153.23 160.9 42.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 61.0 m-20 57.52 45.02 20.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.608 HD11 ' HB3' ' A' ' 33' ' ' CYS . 74.3 mt -98.63 86.94 3.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.652 ' O ' HD12 ' A' ' 37' ' ' ILE . 2.3 pp -48.39 132.92 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.15 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.452 ' HB2' ' CD2' ' A' ' 71' ' ' LEU . . . -93.83 132.17 38.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.154 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.555 ' CE2' ' O ' ' A' ' 108' ' ' LYS . 3.5 t80 -54.66 -23.08 15.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 41' ' ' GLU . 8.2 t -147.79 117.92 7.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 42' ' ' ASP . 31.9 mp0 -37.1 -45.56 0.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 41' ' ' GLU . 15.1 t70 -35.06 -50.42 0.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.834 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 147.57 137.07 2.88 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.524 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 53.6 m -122.21 167.58 13.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.859 0.362 . . . . 0.0 110.84 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.89 82.84 7.06 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.613 0.72 . . . . 0.0 110.896 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 144.06 52.81 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.688 2.259 . . . . 0.0 112.348 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.429 ' CB ' HG22 ' A' ' 66' ' ' VAL . 18.9 p90 -157.25 152.18 25.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.477 HG12 ' N ' ' A' ' 49' ' ' ARG . 79.6 t -99.74 156.83 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.14 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.477 ' N ' HG12 ' A' ' 48' ' ' VAL . 4.9 tpt180 -141.28 134.43 29.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.411 ' O ' ' CD1' ' A' ' 51' ' ' TYR . 48.4 mtm -119.57 139.12 52.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.462 ' CZ ' ' HB2' ' A' ' 61' ' ' ARG . 11.6 m-85 -151.13 120.75 6.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.939 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.1 tp -79.08 93.27 5.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.53 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 54.3 mt -73.49 151.95 89.63 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.571 0.7 . . . . 0.0 110.909 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.5 Cg_endo -69.81 -32.47 3.92 Favored 'Cis proline' 0 C--O 1.231 0.174 0 C-N-CA 122.709 -1.788 . . . . 0.0 112.336 -0.08 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 54' ' ' PRO . 11.8 m-20 -34.37 127.57 0.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.1 mtpt -126.9 31.81 5.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 55.6 mtt-85 -47.08 149.73 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.467 ' O ' ' CD ' ' A' ' 61' ' ' ARG . 13.0 mtp-105 -82.41 -38.73 23.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.0 t -75.58 -59.31 2.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -44.2 -31.34 2.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.466 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.467 ' CD ' ' O ' ' A' ' 58' ' ' ARG . 8.4 ptt180 -51.83 133.67 31.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.782 0.325 . . . . 0.0 110.886 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.3 mmp_? -131.07 133.83 46.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.2 ptpp? -138.49 166.43 24.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 40.8 p -98.12 176.58 5.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 -62.53 156.08 24.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.429 HG22 ' CB ' ' A' ' 47' ' ' TYR . 45.0 t -106.82 100.75 11.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 67.0 m -74.95 146.64 41.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.8 mttm -123.13 156.55 34.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.892 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.8 mmtp 56.67 44.24 24.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.3 t -163.74 166.4 22.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.146 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.452 ' CD2' ' HB2' ' A' ' 38' ' ' ALA . 56.9 mt -121.2 -26.53 5.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -110.38 77.05 1.16 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.6 0.714 . . . . 0.0 110.869 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.411 ' HB2' ' CZ ' ' A' ' 75' ' ' PHE . 54.0 Cg_endo -69.74 144.63 54.75 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.743 2.296 . . . . 0.0 112.355 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 91.2 t -125.76 120.79 58.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.411 ' CZ ' ' HB2' ' A' ' 73' ' ' PRO . 4.6 m-85 -114.31 -49.4 2.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.1 t70 53.82 39.93 30.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -96.12 161.01 14.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.4 t -130.45 110.87 11.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.858 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.409 ' CD1' ' N ' ' A' ' 79' ' ' PHE . 7.6 m-85 -99.78 159.88 14.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.412 ' O ' ' CD1' ' A' ' 81' ' ' PHE . 0.1 OUTLIER -143.42 156.86 44.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.865 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.412 ' CD1' ' O ' ' A' ' 80' ' ' ASP . 9.2 m-85 -149.97 136.98 19.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 40.0 p -85.76 90.3 8.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.4 p -143.77 137.85 24.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.099 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.437 ' C ' ' HD2' ' A' ' 86' ' ' PRO . 3.3 m -73.82 135.49 43.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.849 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.537 ' HA ' HG12 ' A' ' 88' ' ' VAL . 1.1 tp -43.72 -48.85 20.28 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.632 0.73 . . . . 0.0 110.942 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.529 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 64.9 Cg_exo -47.97 -34.22 22.2 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.691 2.261 . . . . 0.0 112.378 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.63 -50.42 8.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.831 HG22 HD12 ' A' ' 118' ' ' LEU . 1.4 p -64.68 -14.38 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.176 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.547 ' O ' ' HB2' ' A' ' 119' ' ' ALA . 8.0 mt-30 -65.86 -59.09 4.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.08 4.38 6.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.856 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 48.6 mtt-85 -98.04 172.88 7.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 38.8 m -137.71 133.65 34.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.157 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.49 ' HB2' HD21 ' A' ' 118' ' ' LEU . 5.7 tp -83.7 100.69 11.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.578 ' OD1' HD11 ' A' ' 115' ' ' LEU . 15.7 t70 -73.45 97.58 2.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.658 HG11 HD11 ' A' ' 15' ' ' LEU . 19.4 t -109.13 103.25 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.409 ' HB1' ' HD2' ' A' ' 98' ' ' LYS . . . -125.34 125.09 42.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.442 HG22 HG22 ' A' ' 48' ' ' VAL . 21.8 t -102.66 105.37 18.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.542 ' HG3' HD12 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -119.59 -178.65 3.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 179.873 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.512 HD22 HD21 ' A' ' 111' ' ' LEU . 9.6 p30 -105.84 144.31 32.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 42.4 t -73.51 155.67 38.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.819 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 159.67 -69.29 0.25 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -159.11 -169.51 22.53 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.465 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.454 ' O ' ' C ' ' A' ' 104' ' ' LEU . 4.6 t80 -89.74 166.89 13.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.902 0.382 . . . . 0.0 110.886 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.46 HD13 ' O ' ' A' ' 104' ' ' LEU . 0.3 OUTLIER -33.68 -42.08 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.907 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.9 t -41.93 -65.87 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 14.6 mmtp -112.55 30.45 7.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -73.67 143.3 46.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.555 ' O ' ' CE2' ' A' ' 39' ' ' PHE . 40.8 mttp -68.33 -27.98 66.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 128.64 153.5 8.04 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.542 HD12 ' HG3' ' A' ' 98' ' ' LYS . 5.3 tp -72.8 114.83 11.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.794 0.331 . . . . 0.0 110.948 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.512 HD21 HD22 ' A' ' 99' ' ' ASN . 69.2 mt -67.23 -54.41 21.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -170.13 144.11 8.26 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.489 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.505 ' HB3' HD11 ' A' ' 110' ' ' LEU . 17.8 ptmt -143.7 155.16 44.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 0.0 110.877 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 9.9 p -152.73 138.26 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.578 HD11 ' OD1' ' A' ' 94' ' ' ASP . 3.1 mm? -103.75 138.55 40.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.556 HG11 ' CD1' ' A' ' 17' ' ' ILE . 97.8 t -121.41 122.18 66.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.178 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -81.58 112.36 18.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.084 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.831 HD12 HG22 ' A' ' 88' ' ' VAL . 2.5 mt -89.51 20.57 3.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.933 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.547 ' HB2' ' O ' ' A' ' 89' ' ' GLN . . . -83.65 10.94 8.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.09 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.2 m -71.59 166.95 20.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -108.06 -3.83 18.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -106.66 47.98 0.86 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 14.4 mt -89.56 -52.8 4.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -37.17 -36.32 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 35.7 mttp -81.84 -45.85 14.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 90.22 154.8 30.35 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 26.9 p90 -146.37 156.3 43.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.837 0.351 . . . . 0.0 110.943 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 86.4 m -128.11 127.92 43.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.146 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -161.6 167.27 25.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' TRP . . . . . 0.525 ' NE1' ' NE2' ' A' ' 14' ' ' GLN . 84.0 m95 -98.4 123.12 42.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.956 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -96.1 103.65 15.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.921 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -64.41 117.18 6.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 55.0 mt -64.61 153.85 38.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.684 ' HA ' HD12 ' A' ' 10' ' ' LEU . 72.7 p -140.47 177.37 8.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.448 ' HG3' HD11 ' A' ' 10' ' ' LEU . 44.6 mt-10 -75.59 164.96 25.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -63.81 175.32 1.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.831 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 14.6 m -44.25 152.36 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.817 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -44.55 146.98 1.56 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.49 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -34.36 14.73 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.711 2.274 . . . . 0.0 112.33 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 70.4 p -57.99 159.43 5.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 22.8 t -101.39 126.3 48.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.482 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.456 -0.257 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.7 p -45.2 116.25 1.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.873 0.368 . . . . 0.0 110.868 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.8 m -81.77 -43.8 17.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.67 -151.72 51.79 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.536 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 t -127.26 158.72 36.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.886 0.374 . . . . 0.0 110.862 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -134.2 105.3 6.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.84 69.9 0.18 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.464 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 87.0 p -107.44 83.1 1.41 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.645 0.736 . . . . 0.0 110.834 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -21.62 33.36 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.688 2.259 . . . . 0.0 112.335 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.578 HD22 ' O ' ' A' ' 111' ' ' LEU . 92.4 mt -92.1 -28.31 17.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.944 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 127.83 172.42 13.22 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -125.56 174.85 7.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.756 0.312 . . . . 0.0 110.927 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.535 HD12 ' SG ' ' A' ' 33' ' ' CYS . 7.0 tt -167.95 130.51 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.135 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -101.74 129.61 47.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.945 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.977 HD11 HG11 ' A' ' 95' ' ' VAL . 42.1 mt -134.63 123.81 24.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.6 m -87.84 103.57 15.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.563 ' CD1' HG11 ' A' ' 116' ' ' VAL . 33.5 mt -98.28 120.11 47.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 35.8 ttt180 -149.16 108.71 3.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 25.5 t-80 -102.65 113.83 27.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.2 t -79.81 127.65 32.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 77.5 p -69.73 -45.56 67.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -60.32 -50.24 74.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 34.9 mtt180 -77.77 -28.79 50.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 60.69 51.0 5.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -134.45 155.12 50.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 37.1 tp -109.5 106.32 16.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.3 mp -100.62 133.11 44.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.121 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.2 t -134.28 111.81 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.2 t -96.8 124.76 49.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.152 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.584 HG22 ' CD2' ' A' ' 15' ' ' LEU . 62.7 t -100.89 85.28 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.136 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -48.55 -75.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -174.15 160.72 3.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.535 ' SG ' HD12 ' A' ' 13' ' ' ILE . 87.1 m -109.45 158.38 18.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -146.5 162.57 38.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 59.19 42.91 17.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 66.2 mt -96.18 88.58 4.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.748 HD11 HD22 ' A' ' 111' ' ' LEU . 2.6 pp -42.93 149.19 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.117 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.646 ' HB2' HD21 ' A' ' 71' ' ' LEU . . . -111.87 112.74 24.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.166 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -42.46 -32.63 0.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 41' ' ' GLU . 8.8 t -142.41 116.81 9.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 42' ' ' ASP . 7.7 tp10 -35.76 -44.58 0.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 41' ' ' GLU . 0.6 OUTLIER -35.29 -49.49 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 148.19 149.79 5.05 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.499 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 20.2 p -132.33 166.01 22.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.904 0.383 . . . . 0.0 110.861 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -115.02 81.82 8.04 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.574 0.702 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 139.78 40.88 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.697 2.265 . . . . 0.0 112.359 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.532 ' CD1' ' HB2' ' A' ' 100' ' ' SER . 33.7 p90 -150.39 136.98 18.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.499 HG23 ' CZ ' ' A' ' 75' ' ' PHE . 44.0 t -87.2 136.76 22.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.15 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.522 ' HD2' ' CE1' ' A' ' 51' ' ' TYR . 36.2 ttp180 -121.93 144.46 48.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.817 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.454 ' HE1' ' CD1' ' A' ' 79' ' ' PHE . 42.8 mtm -129.37 125.65 37.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.587 ' CE1' ' HB2' ' A' ' 61' ' ' ARG . 3.8 m-85 -128.15 133.52 48.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 52' ' ' LEU . 9.5 tp -89.94 91.5 8.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.543 HD13 ' HG3' ' A' ' 56' ' ' LYS . 2.1 mm? -79.46 154.06 76.44 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.592 0.711 . . . . 0.0 110.931 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.8 Cg_endo -69.77 -29.42 5.72 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.694 -1.794 . . . . 0.0 112.334 -0.079 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 54' ' ' PRO . 11.0 m-20 -33.86 103.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.869 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.543 ' HG3' HD13 ' A' ' 53' ' ' LEU . 22.4 mtpt -121.38 55.85 1.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 59' ' ' SER . 27.3 mmt180 -72.99 -4.64 33.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 57' ' ' ARG . 0.1 OUTLIER 34.05 35.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.843 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 57' ' ' ARG . 40.9 m -111.81 -70.03 0.83 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.825 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -85.89 30.83 4.15 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.475 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.587 ' HB2' ' CE1' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -48.56 139.19 9.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.786 0.327 . . . . 0.0 110.881 -179.849 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -110.36 124.44 51.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.2 pttm -144.0 169.79 17.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.482 HG22 ' HZ ' ' A' ' 79' ' ' PHE . 68.2 p -98.13 174.22 6.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -58.46 156.09 10.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 67.4 t -99.22 104.65 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.185 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 33.8 m -78.83 145.45 34.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.4 mttt -121.71 158.32 29.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 23.4 mmtm 48.27 50.05 16.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.9 t -165.19 139.79 5.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.646 HD21 ' HB2' ' A' ' 38' ' ' ALA . 53.9 mt -96.32 -30.69 13.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 -110.11 81.66 2.25 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.604 0.716 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 139.66 40.92 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.731 2.287 . . . . 0.0 112.361 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.3 t -120.67 105.66 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.136 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.499 ' CZ ' HG23 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -96.37 -51.08 4.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.3 t70 54.2 29.29 10.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -92.43 159.65 15.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.852 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.9 t -128.96 123.01 31.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.482 ' HZ ' HG22 ' A' ' 64' ' ' THR . 25.1 m-85 -105.33 175.03 5.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -154.56 153.41 31.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.401 ' O ' HG12 ' A' ' 83' ' ' VAL . 5.8 m-85 -150.65 117.59 5.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 35.4 p -68.02 91.79 0.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.401 HG12 ' O ' ' A' ' 81' ' ' PHE . 3.1 p -143.69 134.89 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.125 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.449 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 1.2 m -73.85 147.02 43.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.597 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 4.2 tp -51.39 -45.19 90.08 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.566 0.698 . . . . 0.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 65.1 Cg_exo -47.96 -39.45 32.53 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.694 2.263 . . . . 0.0 112.302 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -81.84 -58.86 2.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.611 HG22 HD12 ' A' ' 118' ' ' LEU . 1.4 p -51.0 -25.57 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.133 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.46 ' HG3' HD12 ' A' ' 85' ' ' LEU . 54.4 mt-30 -59.94 -47.16 86.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.0 ptp180 -81.77 -14.53 56.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 86.1 mtt-85 -82.36 177.99 8.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.0 m -146.28 143.08 28.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.3 tp -93.36 94.92 9.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.855 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.461 ' HB2' ' CD2' ' A' ' 53' ' ' LEU . 67.3 t0 -76.27 101.64 5.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.845 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.977 HG11 HD11 ' A' ' 15' ' ' LEU . 5.2 t -106.36 118.27 53.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.141 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.524 ' HB1' ' HD2' ' A' ' 98' ' ' LYS . . . -135.83 125.42 25.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 38.8 t -103.91 108.78 25.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.093 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.524 ' HD2' ' HB1' ' A' ' 96' ' ' ALA . 0.0 OUTLIER -126.36 -178.71 4.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.896 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -106.63 126.96 52.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.532 ' HB2' ' CD1' ' A' ' 47' ' ' TYR . 4.2 t -88.83 171.76 9.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 171.16 -63.31 0.16 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.467 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -92.37 110.25 3.88 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.48 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -59.1 -56.4 22.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.891 0.376 . . . . 0.0 110.894 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.403 HD22 ' HA ' ' A' ' 104' ' ' LEU . 0.3 OUTLIER -94.8 88.57 5.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.94 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 77.4 p -168.92 -179.25 3.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.0 ptpp? -105.63 92.6 4.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.45 106.98 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -118.81 -35.68 3.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -62.63 92.37 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.49 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.49 HD12 ' HG3' ' A' ' 98' ' ' LYS . 8.8 tp -98.85 124.0 43.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.835 0.35 . . . . 0.0 110.877 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.748 HD22 HD11 ' A' ' 37' ' ' ILE . 90.4 mt -83.32 -44.74 14.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.407 ' C ' HD22 ' A' ' 133' ' ' LEU . . . -176.83 147.52 8.46 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.503 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -146.24 152.1 38.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.727 HG21 ' HB3' ' A' ' 131' ' ' TYR . 7.8 p -144.81 127.64 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.524 HD22 ' N ' ' A' ' 115' ' ' LEU . 3.1 mm? -89.67 153.37 20.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.563 HG11 ' CD1' ' A' ' 17' ' ' ILE . 54.6 t -136.87 132.0 47.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -91.88 116.14 28.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.611 HD12 HG22 ' A' ' 88' ' ' VAL . 6.6 mt -93.62 22.86 5.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' A' ' 89' ' ' GLN . . . -90.82 25.32 2.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.9 m -87.78 -179.32 6.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -118.88 -10.23 9.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -97.88 47.55 1.01 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 124' ' ' ALA . 15.2 mt -91.8 -57.5 2.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 123' ' ' LEU . . . -34.06 -36.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.068 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 123' ' ' LEU . 0.1 OUTLIER -80.53 -50.19 10.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.899 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 96.99 150.55 26.96 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.492 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . 0.414 ' CZ3' HD23 ' A' ' 123' ' ' LEU . 23.5 p90 -143.81 165.05 28.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.848 0.356 . . . . 0.0 110.944 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 85.3 m -139.92 123.99 17.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.145 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.581 ' CD ' ' CE1' ' A' ' 131' ' ' TYR . 8.4 pt20 -151.46 157.63 42.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' TRP . . . . . . . . . . . . . 62.9 m95 -92.01 110.85 22.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.933 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.727 ' HB3' HG21 ' A' ' 114' ' ' VAL . 49.4 m-85 -88.62 106.58 18.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.926 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 30.0 p-10 -67.49 118.36 10.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.407 HD22 ' C ' ' A' ' 112' ' ' GLY . 18.0 mt -62.61 133.83 55.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 58.6 p -122.68 176.59 5.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -71.4 163.27 28.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -63.45 -49.26 74.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 17.7 m -69.17 -49.8 53.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.816 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 119.85 -94.47 0.57 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.499 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -179.47 2.93 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.742 2.295 . . . . 0.0 112.353 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 40.7 t -103.66 -58.35 1.89 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 40.8 t -87.5 -57.65 2.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.825 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.476 -179.96 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -129.13 82.82 2.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.936 0.398 . . . . 0.0 110.886 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 4' ' ' GLY . 64.7 m -47.92 120.15 3.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.889 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -37.3 137.98 0.57 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.488 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.4 t -65.53 -50.63 64.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.908 0.385 . . . . 0.0 110.906 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t 50.86 51.94 15.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.887 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.61 146.75 0.52 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.458 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.1 m -106.4 88.06 3.04 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.706 0.765 . . . . 0.0 110.832 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -23.49 30.73 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.704 2.27 . . . . 0.0 112.332 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.5 mt -87.0 -47.67 8.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 143.4 170.84 13.36 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.497 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -132.14 169.82 15.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.815 0.341 . . . . 0.0 110.918 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.463 HD12 ' SG ' ' A' ' 33' ' ' CYS . 7.2 tt -155.37 139.75 9.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.441 ' HB2' ' CE2' ' A' ' 130' ' ' TRP . 20.9 tt0 -103.61 124.94 49.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.956 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.699 HD11 HG11 ' A' ' 95' ' ' VAL . 73.7 mt -136.28 133.08 36.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.963 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.1 m -101.07 103.39 14.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.137 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.631 ' CD1' HG11 ' A' ' 116' ' ' VAL . 23.1 mt -99.48 122.8 51.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -153.83 110.99 3.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 24.1 t-80 -100.27 114.57 28.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.4 t -76.62 123.77 26.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.831 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.8 p -76.44 -11.25 59.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -94.36 -30.85 14.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.951 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -100.77 -25.28 14.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.3 m120 64.01 50.35 2.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -136.36 153.18 51.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.959 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 39.7 tp -110.22 106.37 15.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.414 ' N ' HD12 ' A' ' 27' ' ' ILE . 5.0 mp -97.59 137.11 26.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.4 t -140.44 113.49 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.096 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.3 t -96.45 140.05 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.546 HG22 ' CD2' ' A' ' 15' ' ' LEU . 13.8 t -120.99 87.88 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.548 ' O ' HG23 ' A' ' 74' ' ' VAL . 93.9 m-70 -54.64 -73.45 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.513 ' HB2' HG23 ' A' ' 74' ' ' VAL . . . -174.71 158.62 2.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.463 ' SG ' HD12 ' A' ' 13' ' ' ILE . 96.7 m -105.91 152.57 23.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 33.1 ptt85 -140.02 164.56 29.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 65.6 m-20 59.06 39.98 22.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.2 mt -95.56 95.66 8.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.661 ' O ' HD12 ' A' ' 37' ' ' ILE . 2.6 pp -56.92 133.17 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -96.73 119.02 34.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -43.72 -33.32 1.21 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 38.7 t -138.96 122.44 17.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 42' ' ' ASP . 19.1 mt-10 -44.37 -40.53 5.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 41' ' ' GLU . 34.0 m-20 -36.39 -50.66 0.77 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 151.75 139.48 2.97 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.506 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.9 m -122.56 164.66 17.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.823 0.344 . . . . 0.0 110.895 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.431 ' HB3' ' CG1' ' A' ' 66' ' ' VAL . 1.2 m-20 -119.96 82.63 28.94 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.632 0.73 . . . . 0.0 110.894 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 138.39 37.78 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.667 2.245 . . . . 0.0 112.381 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.707 ' HB3' HG22 ' A' ' 66' ' ' VAL . 23.6 p90 -147.93 134.33 19.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.969 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.5 t -95.39 130.04 44.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.134 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.471 ' HG3' ' CE2' ' A' ' 47' ' ' TYR . 31.3 mtm180 -120.7 136.88 54.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 60.3 mtm -118.56 130.68 56.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.855 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.438 ' CZ ' ' HB2' ' A' ' 61' ' ' ARG . 42.0 m-85 -135.56 114.48 12.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.7 tp -72.7 80.77 1.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.939 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.546 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 83.8 mt -61.31 152.14 73.88 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.643 0.735 . . . . 0.0 110.88 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 54.0 Cg_endo -69.76 -45.1 0.44 Allowed 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.669 -1.805 . . . . 0.0 112.34 -0.15 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.37 97.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.479 ' HE3' ' CD2' ' A' ' 53' ' ' LEU . 6.7 ptpp? -119.94 33.48 5.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -42.92 120.53 1.8 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -68.53 -33.77 74.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 t -50.44 -46.7 56.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -108.81 30.7 8.45 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.487 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.438 ' HB2' ' CZ ' ' A' ' 51' ' ' TYR . 15.3 ptt-85 -54.57 161.35 1.49 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.813 0.339 . . . . 0.0 110.894 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -132.32 115.7 15.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.451 ' CB ' ' HG2' ' A' ' 49' ' ' ARG . 8.5 ptmm? -144.24 170.92 15.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.571 HG22 ' HZ ' ' A' ' 79' ' ' PHE . 29.3 p -103.83 166.29 10.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.213 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 15.3 t60 -52.66 160.21 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.887 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.707 HG22 ' HB3' ' A' ' 47' ' ' TYR . 46.6 t -104.56 99.95 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.087 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 73.5 m -71.94 137.58 47.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 56.9 mttt -117.05 147.42 42.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.447 ' N ' ' HD3' ' A' ' 69' ' ' LYS . 0.0 OUTLIER 61.42 52.46 3.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.831 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.6 t -169.73 138.05 1.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.168 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 89.3 mt -94.93 -22.83 17.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.934 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -113.02 78.72 3.15 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.63 0.728 . . . . 0.0 110.868 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 130.93 20.24 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.679 2.253 . . . . 0.0 112.342 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 31' ' ' HIS . 4.8 p -127.16 121.12 57.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.101 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -112.78 -25.05 9.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 43.5 t0 41.91 33.75 0.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -95.79 160.0 14.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.3 t -131.03 122.9 27.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.571 ' HZ ' HG22 ' A' ' 64' ' ' THR . 3.9 m-85 -103.56 169.32 8.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -153.19 147.17 25.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -142.84 120.69 11.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 36.6 p -68.42 90.08 0.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 6.9 p -143.84 132.07 18.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.109 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.444 ' C ' ' HD2' ' A' ' 86' ' ' PRO . 1.3 m -73.67 144.69 45.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.646 ' HA ' HG12 ' A' ' 88' ' ' VAL . 4.5 tp -51.73 -44.83 91.45 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.604 0.716 . . . . 0.0 110.931 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 65.1 Cg_exo -47.95 -31.76 16.43 Favored 'Trans proline' 0 N--CA 1.466 -0.138 0 C-N-CA 122.687 2.258 . . . . 0.0 112.363 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -93.27 -54.59 3.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.646 HG12 ' HA ' ' A' ' 85' ' ' LEU . 1.7 p -50.28 -36.7 13.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.553 ' O ' ' HB2' ' A' ' 119' ' ' ALA . 27.5 mt-30 -47.3 -42.83 21.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.947 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -78.92 -32.78 45.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -66.18 -178.1 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.2 m -152.92 137.56 16.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.7 tp -83.14 107.45 15.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.969 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.406 ' OD1' ' C ' ' A' ' 94' ' ' ASP . 47.4 t0 -84.26 98.52 10.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.699 HG11 HD11 ' A' ' 15' ' ' LEU . 5.7 t -107.8 111.27 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.158 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -131.25 122.23 26.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.127 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 26.6 t -106.69 114.81 46.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.142 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.455 ' N ' ' HD3' ' A' ' 98' ' ' LYS . 0.1 OUTLIER -144.44 173.34 11.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.911 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 99' ' ' ASN . 0.8 OUTLIER -97.08 127.8 43.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.6 t -47.34 107.78 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.821 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -63.83 -106.55 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.462 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -165.71 -76.61 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.519 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -148.71 177.23 9.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.955 0.407 . . . . 0.0 110.847 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -41.87 -33.73 0.57 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 38.7 t -40.79 -40.11 1.26 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 21.6 mtpt -141.6 153.57 44.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.872 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.7 -175.55 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 109' ' ' GLY . 26.9 mtmm -86.59 19.84 2.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.953 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 108' ' ' LYS . . . 35.37 69.53 0.21 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.476 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.425 HD12 ' HD2' ' A' ' 98' ' ' LYS . 21.8 tp -61.19 116.4 4.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.81 0.338 . . . . 0.0 110.937 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 13.8 mt -86.49 -45.21 11.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.684 ' O ' HD22 ' A' ' 133' ' ' LEU . . . -171.77 130.48 1.95 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.46 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt -131.68 153.76 49.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.816 0.341 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.451 HG21 ' HB3' ' A' ' 131' ' ' TYR . 13.5 p -147.37 132.45 11.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -95.87 154.71 17.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.631 HG11 ' CD1' ' A' ' 17' ' ' ILE . 88.0 t -138.44 117.03 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -80.96 112.32 18.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.144 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.617 HD12 HG22 ' A' ' 88' ' ' VAL . 9.4 mt -84.85 24.48 1.05 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.553 ' HB2' ' O ' ' A' ' 89' ' ' GLN . . . -88.05 23.26 2.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.106 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.423 ' O ' HD12 ' A' ' 123' ' ' LEU . 41.1 t -98.02 163.83 12.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 31.6 mp0 -97.15 -24.11 15.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -56.12 -21.22 21.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.423 HD12 ' O ' ' A' ' 120' ' ' SER . 7.9 mt -44.05 -46.12 8.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -40.79 -41.03 1.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 10.6 mtmm -91.04 -56.74 3.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 112.92 151.5 11.06 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 17.7 p90 -148.95 164.17 35.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.823 0.344 . . . . 0.0 110.944 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 85.3 m -142.91 127.63 18.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.184 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -157.48 159.04 36.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.927 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' TRP . . . . . 0.441 ' CE2' ' HB2' ' A' ' 14' ' ' GLN . 84.0 m95 -86.28 105.28 16.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.451 ' HB3' HG21 ' A' ' 114' ' ' VAL . 24.4 m-85 -76.55 101.59 5.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -56.23 118.49 4.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.684 HD22 ' O ' ' A' ' 112' ' ' GLY . 67.5 mt -67.73 134.22 50.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 72.2 p -120.57 172.53 7.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.164 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -73.68 162.8 28.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.928 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -65.03 -48.55 73.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 11.6 t -74.18 119.94 19.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.82 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -119.18 -159.07 10.89 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 160.1 50.94 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.722 2.281 . . . . 0.0 112.35 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 11.2 t -85.03 145.16 27.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 65.8 m -73.67 -56.44 5.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.481 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.367 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 1' ' ' GLY . 18.6 m 34.85 51.31 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.881 0.372 . . . . 0.0 110.829 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 t -126.5 81.77 2.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.28 -50.76 9.53 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.516 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.1 p -124.27 126.76 46.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.87 0.367 . . . . 0.0 110.872 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.0 m -76.98 169.05 19.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.92 114.86 0.18 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.536 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.5 p -107.47 88.66 4.28 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.615 0.722 . . . . 0.0 110.868 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -18.07 37.16 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.692 2.262 . . . . 0.0 112.373 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 95.5 mt -96.45 -43.94 7.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 153.78 176.12 25.83 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.473 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -130.36 170.68 13.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.769 0.318 . . . . 0.0 110.906 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 18.2 tt -162.68 136.76 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -107.72 110.01 21.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.682 HD11 HG11 ' A' ' 95' ' ' VAL . 45.5 mt -122.99 135.57 54.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.4 m -102.92 108.27 19.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.154 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.564 HG21 HD22 ' A' ' 118' ' ' LEU . 20.6 mt -102.41 115.85 45.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.13 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 -148.47 115.76 6.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -97.51 112.73 24.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.486 ' O ' ' N ' ' A' ' 24' ' ' ASN . 30.7 t -74.21 126.35 30.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 61.3 p -71.88 -43.71 64.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -66.04 -38.65 88.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.7 mtt-85 -91.88 -20.6 21.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.486 ' N ' ' O ' ' A' ' 20' ' ' SER . 11.6 m120 51.81 51.69 16.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 47.4 mttt -137.28 150.88 48.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.575 HD13 HG21 ' A' ' 88' ' ' VAL . 16.6 tp -99.23 110.29 22.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.867 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.483 HD12 ' N ' ' A' ' 27' ' ' ILE . 4.0 mp -101.54 130.95 50.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.19 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 48.9 t -134.34 112.37 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.2 t -94.15 141.22 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.521 HG22 ' CD2' ' A' ' 15' ' ' LEU . 21.3 t -118.21 77.72 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.172 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -42.73 -74.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -175.03 161.35 2.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 85.4 m -109.17 164.79 12.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.847 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -163.72 151.84 13.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.0 m120 71.62 51.43 0.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.737 HD13 ' HB3' ' A' ' 46' ' ' PRO . 36.0 mt -102.4 86.7 2.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.632 ' O ' HD12 ' A' ' 37' ' ' ILE . 2.1 pp -38.74 132.47 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.594 ' HB3' ' HA ' ' A' ' 41' ' ' GLU . . . -86.49 142.21 28.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.086 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -53.03 -44.44 67.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.3 t -134.97 35.19 3.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.594 ' HA ' ' HB3' ' A' ' 38' ' ' ALA . 14.7 mt-10 39.68 32.7 0.1 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -111.99 -35.92 5.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 146.08 114.54 0.87 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.502 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.4 m -115.12 165.78 12.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.849 0.357 . . . . 0.0 110.877 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.42 86.7 3.61 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.602 0.715 . . . . 0.0 110.836 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.737 ' HB3' HD13 ' A' ' 36' ' ' LEU . 53.2 Cg_endo -69.79 142.17 47.09 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.653 2.235 . . . . 0.0 112.336 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 9.5 p90 -159.96 133.66 7.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.591 HG22 HG22 ' A' ' 97' ' ' VAL . 40.0 t -92.32 146.03 6.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 -137.49 138.75 40.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 59.9 mtm -116.08 140.61 49.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.443 ' CZ ' ' HG3' ' A' ' 61' ' ' ARG . 17.0 m-85 -145.55 113.62 6.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.4 tp -72.16 88.38 1.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.564 HD21 ' CB ' ' A' ' 94' ' ' ASP . 3.7 mm? -63.88 156.12 74.58 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.621 0.724 . . . . 0.0 110.889 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 54.0 Cg_endo -69.73 -35.15 2.8 Favored 'Cis proline' 0 C--N 1.342 0.212 0 C-N-CA 122.632 -1.82 . . . . 0.0 112.38 -0.213 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -42.76 131.08 4.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt -132.6 25.37 4.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.438 ' NH1' ' HB2' ' A' ' 57' ' ' ARG . 25.5 mtm105 -49.98 134.42 21.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 37.4 ttp180 -73.63 -43.78 58.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.2 t -40.43 -60.51 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -87.78 49.52 3.85 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.513 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.443 ' HG3' ' CZ ' ' A' ' 51' ' ' TYR . 17.1 ttt180 -100.63 121.26 41.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.791 0.329 . . . . 0.0 110.911 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.464 ' HB3' ' CD2' ' A' ' 79' ' ' PHE . 23.6 mmt85 -107.96 125.9 52.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -140.92 167.82 21.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.404 ' HB ' ' CG ' ' A' ' 75' ' ' PHE . 68.0 p -98.77 167.15 10.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.195 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -53.46 157.55 2.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.904 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 20.8 t -110.29 102.64 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.6 m -78.14 153.27 32.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.8 mtpt -122.99 146.03 47.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.65 53.58 8.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.3 t -163.71 137.46 5.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.109 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.554 ' O ' HD12 ' A' ' 36' ' ' LEU . 5.3 mp -92.58 -26.88 17.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -122.13 85.15 46.23 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.614 0.721 . . . . 0.0 110.91 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -175.03 1.03 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.712 2.274 . . . . 0.0 112.359 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.4 t -156.74 126.0 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.14 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.404 ' CG ' ' HB ' ' A' ' 64' ' ' THR . 11.7 m-85 -125.08 -50.68 1.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.889 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 32.8 t70 57.66 32.22 21.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -96.33 154.56 17.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.3 t -131.01 117.22 18.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.464 ' CD2' ' HB3' ' A' ' 62' ' ' ARG . 5.7 m-85 -101.84 167.76 9.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.868 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -149.33 156.23 41.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -145.54 124.62 12.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 62.9 p -70.31 91.03 0.72 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.7 p -143.44 141.82 25.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.109 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.463 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 1.6 m -80.83 147.7 30.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.607 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 8.0 tp -52.73 -44.53 95.82 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.637 0.732 . . . . 0.0 110.936 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.607 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 64.6 Cg_exo -47.95 -38.6 31.48 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.693 2.262 . . . . 0.0 112.344 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -84.4 -57.03 3.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.575 HG21 HD13 ' A' ' 26' ' ' LEU . 1.0 OUTLIER -49.78 -27.23 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.508 ' HG3' HD12 ' A' ' 85' ' ' LEU . 62.7 mt-30 -59.14 -49.74 76.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 25.1 mtp85 -78.75 -4.72 50.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 60.8 mtt-85 -97.44 171.2 8.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 32.6 m -139.4 150.06 44.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.132 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.6 tp -94.31 100.03 12.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.564 ' CB ' HD21 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -76.07 99.9 4.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.815 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.682 HG11 HD11 ' A' ' 15' ' ' LEU . 6.1 t -111.05 113.47 44.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -135.81 126.81 27.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.591 HG22 HG22 ' A' ' 48' ' ' VAL . 67.7 t -100.69 100.23 9.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.146 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.27 -176.47 3.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.474 ' O ' ' N ' ' A' ' 101' ' ' GLY . 14.4 p-10 -113.22 108.0 16.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.3 t -57.7 81.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.838 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 99' ' ' ASN . . . -175.8 80.26 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -103.47 -171.29 25.79 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.465 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -139.47 178.92 6.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.895 0.378 . . . . 0.0 110.876 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.46 HD22 ' N ' ' A' ' 104' ' ' LEU . 3.3 mm? -75.75 58.09 1.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 57.9 m -166.17 177.89 6.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp -81.06 95.8 6.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -141.52 142.57 33.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 109' ' ' GLY . 0.0 OUTLIER -118.58 -28.56 5.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 108' ' ' LYS . . . 35.36 44.14 0.57 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.491 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 21.9 tp -64.13 118.22 8.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.831 0.348 . . . . 0.0 110.924 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.426 HD11 ' HB3' ' A' ' 99' ' ' ASN . 35.4 mt -78.56 -39.79 36.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.95 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.505 ' C ' HD22 ' A' ' 133' ' ' LEU . . . 175.57 149.77 7.58 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.504 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.512 ' N ' HD22 ' A' ' 133' ' ' LEU . 7.5 pttt -152.97 158.81 42.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.791 0.329 . . . . 0.0 110.93 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.532 HG11 ' HB3' ' A' ' 131' ' ' TYR . 7.7 p -149.75 141.42 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.131 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -103.97 144.65 31.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.503 HG11 ' CD1' ' A' ' 17' ' ' ILE . 87.5 t -130.13 122.98 55.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.114 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -81.76 113.05 19.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.564 HD22 HG21 ' A' ' 17' ' ' ILE . 18.4 mt -88.49 20.46 3.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -83.43 16.07 2.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.089 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.9 m -94.42 157.31 16.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -91.74 -27.43 18.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -50.91 -18.29 0.74 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 14.0 mt -48.71 -31.38 6.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -52.27 -35.93 51.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.079 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 31.4 mtpt -98.91 -48.38 4.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 105.4 154.53 21.93 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.482 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 16.8 p90 -146.58 155.8 42.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.85 0.357 . . . . 0.0 110.912 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 91.6 m -131.22 131.28 43.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -160.77 162.85 32.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.958 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' TRP . . . . . . . . . . . . . 75.9 m95 -92.47 105.57 17.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.532 ' HB3' HG11 ' A' ' 114' ' ' VAL . 25.4 m-85 -74.58 103.46 4.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.937 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -63.0 116.58 5.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.512 HD22 ' N ' ' A' ' 113' ' ' LYS . 38.3 mt -62.69 138.47 58.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 25.4 p -130.56 -177.07 4.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -77.31 159.33 29.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.92 177.15 2.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.817 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 46.3 t -149.75 113.69 5.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.824 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 173.03 82.71 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.471 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -20.44 35.02 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.696 2.264 . . . . 0.0 112.336 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 22.6 t -48.53 138.05 10.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 43.1 t -120.88 92.65 3.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.511 -179.966 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.2 t -128.24 84.23 2.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.891 0.377 . . . . 0.0 110.881 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.9 m -118.63 154.45 32.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.839 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.73 76.52 1.07 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.482 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.2 m -95.73 172.09 8.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.874 0.368 . . . . 0.0 110.86 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.6 m -159.52 169.77 23.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.411 ' O ' ' HD3' ' A' ' 9' ' ' PRO . . . -69.87 145.58 41.87 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.534 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.2 t -88.92 108.09 21.54 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.65 0.738 . . . . 0.0 110.825 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.411 ' HD3' ' O ' ' A' ' 7' ' ' GLY . 53.9 Cg_endo -69.77 -24.28 29.79 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.649 2.232 . . . . 0.0 112.373 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.657 HD22 ' O ' ' A' ' 111' ' ' LEU . 21.4 mt -79.74 -44.66 20.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 143.81 -157.02 26.92 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.479 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -154.7 166.61 32.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 0.0 110.947 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.458 HD11 HD21 ' A' ' 15' ' ' LEU . 9.9 tt -148.87 128.95 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.429 ' HB2' ' CE2' ' A' ' 130' ' ' TRP . 28.0 tt0 -99.08 115.12 28.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.458 HD21 HD11 ' A' ' 13' ' ' ILE . 5.2 mt -134.5 156.58 48.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 98.1 m -115.71 105.53 12.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.624 ' CD1' HG11 ' A' ' 116' ' ' VAL . 22.8 mt -98.75 116.02 40.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.095 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -148.38 116.67 6.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 -98.26 113.08 24.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 24' ' ' ASN . 25.2 t -78.69 126.53 30.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 26.6 p -70.17 -46.65 64.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -59.96 -48.54 81.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.7 -27.78 33.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 20' ' ' SER . 7.1 m120 58.89 47.67 12.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.5 mttm -133.44 155.98 48.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.802 HD21 HD13 ' A' ' 93' ' ' LEU . 15.1 tp -106.37 106.03 16.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.4 mp -95.68 121.86 46.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.132 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 38.6 t -123.84 111.11 27.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.5 t -95.07 146.39 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.7 t -126.17 96.08 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -65.3 -72.54 0.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -174.31 157.2 2.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.406 ' SG ' HD12 ' A' ' 13' ' ' ILE . 27.0 m -106.92 152.29 24.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.564 ' HD3' ' CH2' ' A' ' 130' ' ' TRP . 20.7 ptt85 -142.02 159.3 42.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.847 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 62.1 46.59 6.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 29.7 mt -101.88 96.34 6.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.822 ' O ' HD12 ' A' ' 37' ' ' ILE . 2.8 pp -59.27 125.95 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.61 124.5 34.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.115 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -47.24 -32.39 4.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 41' ' ' GLU . 28.7 m -136.3 114.22 11.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.825 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 40' ' ' SER . 28.0 mt-10 -37.5 -42.9 0.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.922 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 41' ' ' GLU . 19.1 t0 -36.74 -46.65 0.62 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.832 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 150.74 144.6 3.95 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 51.3 p -131.54 153.67 49.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.874 0.369 . . . . 0.0 110.861 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.08 82.9 1.61 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.611 0.72 . . . . 0.0 110.855 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 141.31 44.72 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.664 2.242 . . . . 0.0 112.347 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 12.8 p90 -151.24 139.1 19.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 50.6 t -85.2 146.02 7.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.158 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.3 ttt180 -127.11 133.28 50.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 60.2 mtm -125.24 129.13 49.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -140.33 138.74 35.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 52' ' ' LEU . 6.3 tp -93.26 87.96 5.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.977 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.533 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 2.5 mm? -66.98 154.62 92.03 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.579 0.704 . . . . 0.0 110.915 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.9 Cg_endo -69.78 -38.98 1.44 Allowed 'Cis proline' 0 C--N 1.341 0.153 0 C-N-CA 122.672 -1.804 . . . . 0.0 112.376 -0.129 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -39.18 133.62 1.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 57' ' ' ARG . 12.1 mttm -131.55 30.51 4.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 56' ' ' LYS . 36.7 mtt180 -36.06 118.71 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.869 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -18.56 65.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.5 m -82.56 -39.06 22.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -81.64 13.07 37.52 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.4 ttp180 -60.75 109.03 0.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 0.0 110.861 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -110.88 124.59 52.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -146.19 171.31 15.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 74.0 p -96.19 166.35 11.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -51.37 160.62 0.55 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 26.1 t -109.48 104.62 17.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.7 t -79.41 140.35 37.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.81 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 35.0 mttp -117.5 156.27 28.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.883 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.8 mmmt 56.19 45.85 22.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.6 t -161.64 146.62 13.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.158 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 70.5 mt -99.5 -34.6 10.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 18.3 p-10 -109.82 81.17 1.9 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.612 0.72 . . . . 0.0 110.899 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 142.85 49.03 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.731 2.287 . . . . 0.0 112.35 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.7 t -126.74 122.15 60.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -110.88 -62.63 1.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.9 t0 74.27 28.62 1.36 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -96.2 156.12 16.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 44.4 t -130.14 125.03 34.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.485 ' CD1' ' N ' ' A' ' 79' ' ' PHE . 2.2 m-85 -112.25 163.23 14.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -146.33 149.62 34.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -138.33 129.56 27.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 78.4 p -73.41 92.74 1.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.811 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.7 p -143.68 133.68 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.465 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 1.2 m -74.96 147.65 40.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.609 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 4.2 tp -52.86 -44.54 96.51 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.616 0.722 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 64.9 Cg_exo -48.02 -34.44 23.08 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.644 2.229 . . . . 0.0 112.357 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -90.48 -53.95 4.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.533 HG21 HD13 ' A' ' 26' ' ' LEU . 0.8 OUTLIER -49.32 -31.84 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.185 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.413 ' OE1' ' HA ' ' A' ' 86' ' ' PRO . 73.3 mt-30 -55.47 -54.99 37.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.969 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.485 ' CZ ' ' HB2' ' A' ' 90' ' ' ARG . 15.5 mtm105 -71.95 -26.02 62.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -78.24 168.44 19.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.9 m -135.6 151.22 50.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.145 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.802 HD13 HD21 ' A' ' 26' ' ' LEU . 5.4 tp -94.56 101.01 12.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.71 99.91 3.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 32.5 t -112.63 101.44 12.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.158 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -125.61 127.12 45.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 84.1 t -97.06 98.77 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.107 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -113.11 172.62 6.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -109.9 130.74 55.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.3 t -78.35 -50.1 12.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.849 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 80.49 -62.63 4.3 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.498 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 62.17 -121.28 25.04 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.459 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 45.32 53.18 8.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.904 0.383 . . . . 0.0 110.888 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 6.0 mt 59.16 49.54 9.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.92 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 56.4 m -167.06 176.78 6.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.85 148.3 32.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -167.41 148.98 5.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 109' ' ' GLY . 6.6 mptt -114.01 15.37 18.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 108' ' ' LYS . . . -34.72 101.05 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.49 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 27.8 tp -78.62 106.67 10.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.825 0.345 . . . . 0.0 110.955 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.657 ' O ' HD22 ' A' ' 10' ' ' LEU . 27.4 mt -79.81 -33.14 40.66 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 175.76 141.22 3.71 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.465 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.3 ptmm? -137.76 152.94 49.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.811 0.338 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 7.2 p -148.13 126.4 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.16 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -96.0 146.61 24.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.624 HG11 ' CD1' ' A' ' 17' ' ' ILE . 78.3 t -129.52 108.72 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.23 107.54 1.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.12 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 9.2 mt -82.33 17.37 1.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -85.54 15.56 4.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.5 t -91.97 151.9 20.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.857 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -82.4 -23.57 34.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -56.26 -14.38 2.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 30.9 mt -58.56 -24.4 60.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -62.3 -25.22 67.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.09 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 52.7 mttm -107.9 -52.83 2.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 111.44 140.57 8.25 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.544 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 20.1 p90 -137.57 158.03 45.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.853 0.359 . . . . 0.0 110.899 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 89.0 m -138.79 129.36 26.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.514 ' OE1' ' N ' ' A' ' 130' ' ' TRP . 0.1 OUTLIER -162.15 162.78 28.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.943 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' TRP . . . . . 0.564 ' CH2' ' HD3' ' A' ' 34' ' ' ARG . 78.1 m95 -81.42 100.9 9.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.461 ' CE1' ' HG3' ' A' ' 129' ' ' GLN . 20.4 m-85 -72.8 103.28 3.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -60.76 131.64 51.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.847 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 95.0 mt -80.32 157.91 26.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 4.7 p -145.91 170.61 16.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -75.82 165.45 24.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -54.45 120.77 7.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 6.9 t -129.27 107.67 9.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -160.47 82.67 0.13 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.474 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -23.01 31.22 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.685 2.257 . . . . 0.0 112.342 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 61.1 m -129.75 166.45 19.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 25.9 t -112.26 -47.57 3.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 179.992 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.0 m -54.78 155.17 4.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.882 0.372 . . . . 0.0 110.876 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.7 m -50.12 100.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.849 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.19 63.97 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.482 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.9 m -50.37 146.4 5.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.923 0.392 . . . . 0.0 110.839 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.5 m -119.28 -54.54 2.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.87 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.99 109.4 2.88 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.523 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 45.6 p -115.9 81.58 9.9 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.678 0.751 . . . . 0.0 110.873 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -33.67 16.05 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.676 2.251 . . . . 0.0 112.328 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.482 ' CD1' ' HA ' ' A' ' 134' ' ' THR . 15.3 mt -75.52 -51.28 13.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.894 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.479 ' CA ' ' O ' ' A' ' 35' ' ' ASN . . . 144.35 173.34 15.65 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.492 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -125.46 167.21 15.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.824 0.345 . . . . 0.0 110.876 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.695 HD11 HD21 ' A' ' 15' ' ' LEU . 8.3 tt -154.88 133.09 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.192 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -101.85 121.6 42.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.727 HD11 HG11 ' A' ' 95' ' ' VAL . 30.3 mt -135.2 129.6 33.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.2 m -96.64 105.22 17.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.121 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.419 HG21 HD22 ' A' ' 118' ' ' LEU . 15.1 mt -98.79 124.27 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.16 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -154.02 109.08 3.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.504 ' CE1' ' HB2' ' A' ' 85' ' ' LEU . 19.0 t-80 -97.7 103.69 15.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.7 t -66.96 131.2 45.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 89.4 p -82.11 -6.61 59.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 12.8 tp60 -96.56 -39.76 9.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -93.91 -10.74 32.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.867 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 50.3 43.7 26.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.3 mttm -129.26 160.11 34.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 21.5 tp -114.92 107.86 15.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.3 mp -98.56 137.98 24.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.126 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.2 t -139.57 108.75 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.093 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 19.3 t -92.53 131.09 40.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.131 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.707 HG22 HD22 ' A' ' 15' ' ' LEU . 71.0 t -111.05 86.04 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.141 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.502 ' O ' HG23 ' A' ' 74' ' ' VAL . 90.5 m-70 -52.21 -71.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.638 ' HB2' HG23 ' A' ' 74' ' ' VAL . . . -174.93 161.77 3.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.081 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 68.0 m -108.05 169.24 8.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 34' ' ' ARG . 4.0 ptp180 -152.47 170.67 19.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.479 ' O ' ' CA ' ' A' ' 11' ' ' GLY . 2.3 m-80 46.81 47.93 15.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.0 mt -102.84 89.92 3.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.946 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.455 HD12 ' C ' ' A' ' 37' ' ' ILE . 2.6 pp -45.62 152.43 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -117.66 125.22 50.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.077 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -44.47 -32.57 1.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 41' ' ' GLU . 22.9 t -144.05 125.92 15.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 42' ' ' ASP . 21.6 tt0 -37.62 -45.58 0.78 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 41' ' ' GLU . 88.0 m-20 -34.77 -50.07 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 143.37 145.31 4.39 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.457 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.8 m -122.87 166.99 14.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.894 0.378 . . . . 0.0 110.855 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.29 82.24 2.59 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.599 0.714 . . . . 0.0 110.844 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 142.85 48.9 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.666 2.244 . . . . 0.0 112.345 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -156.7 136.19 12.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.416 HG12 ' N ' ' A' ' 49' ' ' ARG . 80.1 t -85.24 153.42 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.12 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.416 ' N ' HG12 ' A' ' 48' ' ' VAL . 21.6 ttt180 -135.63 134.1 38.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.402 ' HE1' ' CD1' ' A' ' 79' ' ' PHE . 66.2 mtm -125.43 118.66 26.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.578 ' CE1' ' HB2' ' A' ' 61' ' ' ARG . 5.0 m-85 -131.28 113.73 14.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.9 tp -68.53 90.97 0.4 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.931 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.539 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 46.8 mt -69.84 151.71 96.24 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.605 0.716 . . . . 0.0 110.911 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 54.0 Cg_endo -69.79 -30.93 4.87 Favored 'Cis proline' 0 C--O 1.232 0.205 0 C-N-CA 122.664 -1.807 . . . . 0.0 112.339 -0.147 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 54' ' ' PRO . 3.1 t70 -35.55 108.76 0.07 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.872 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.4 mtpp -110.71 32.81 4.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -52.17 107.02 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.843 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 -79.37 -25.72 42.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.9 m -68.32 -30.34 69.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.859 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -113.78 23.36 13.31 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.533 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.578 ' HB2' ' CE1' ' A' ' 51' ' ' TYR . 5.8 ptt180 -48.2 155.03 0.52 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.843 0.354 . . . . 0.0 110.865 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 5.5 tpt85 -132.12 109.25 9.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.4 pttt -141.5 171.25 14.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.675 HG22 ' CZ ' ' A' ' 79' ' ' PHE . 59.8 p -98.36 174.0 6.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.168 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -56.1 174.52 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.852 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 67.6 t -120.87 99.36 7.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 74.9 m -76.84 148.33 36.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -123.38 157.49 33.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.6 mptt 53.45 54.28 10.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.8 t -168.99 136.3 1.86 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.16 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 94.7 mt -91.51 -30.9 16.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.936 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -109.96 77.55 1.14 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.631 0.729 . . . . 0.0 110.941 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 147.28 62.28 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.7 2.267 . . . . 0.0 112.319 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.638 HG23 ' HB2' ' A' ' 32' ' ' ALA . 3.5 p -140.1 133.62 35.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.092 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -124.56 -30.37 3.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.7 t70 46.71 36.74 3.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.841 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -97.74 157.66 15.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.4 t -126.73 119.57 27.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.675 ' CZ ' HG22 ' A' ' 64' ' ' THR . 26.3 m-85 -100.38 170.05 8.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -147.95 150.17 33.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -145.94 126.39 14.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 57.6 p -72.01 92.19 1.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.819 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.3 p -143.49 133.55 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.48 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 1.8 m -75.78 147.89 38.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.961 HD11 ' NE2' ' A' ' 89' ' ' GLN . 0.3 OUTLIER -52.31 -44.66 94.02 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.641 0.734 . . . . 0.0 110.951 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.728 ' N ' HD13 ' A' ' 85' ' ' LEU . 66.1 Cg_exo -47.99 -40.56 33.29 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.683 2.255 . . . . 0.0 112.333 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 89' ' ' GLN . 0.2 OUTLIER -80.83 -64.05 1.27 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.533 HG22 HD12 ' A' ' 118' ' ' LEU . 1.8 p -40.56 -24.63 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.088 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.961 ' NE2' HD11 ' A' ' 85' ' ' LEU . 49.2 mt-30 -57.25 -44.68 84.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 -92.61 -23.98 18.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.437 ' HG3' ' HA ' ' A' ' 88' ' ' VAL . 13.3 mmp_? -59.34 167.04 1.99 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.9 m -136.66 130.46 32.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.168 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.4 tp -85.72 103.73 14.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.402 ' HB2' HD11 ' A' ' 53' ' ' LEU . 17.7 t0 -76.68 97.43 4.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.835 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.727 HG11 HD11 ' A' ' 15' ' ' LEU . 20.3 t -108.56 100.98 11.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -125.28 127.49 46.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.112 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 96.3 t -100.14 98.77 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -112.98 -177.27 3.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -110.18 137.5 47.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.2 t -84.04 137.89 33.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -96.95 -47.54 2.24 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 165.34 -75.61 0.15 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.444 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 17.5 p90 -132.3 36.3 3.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.935 0.398 . . . . 0.0 110.893 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -99.95 169.31 9.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 31.5 m -103.25 -55.51 2.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 14.0 mtpp -138.14 158.79 43.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -153.6 155.96 37.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 21.8 mtmt -87.06 19.04 3.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -97.54 49.44 1.46 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.515 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 15.3 tp -70.27 111.83 6.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.847 0.356 . . . . 0.0 110.955 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 76.0 mt -75.57 -45.72 36.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.456 ' C ' HD22 ' A' ' 133' ' ' LEU . . . -173.7 149.73 11.25 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.502 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -154.77 154.66 33.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.769 0.318 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 5.6 p -152.74 122.95 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.141 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.416 HD22 ' N ' ' A' ' 115' ' ' LEU . 3.8 mm? -88.19 146.63 25.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 59.5 t -133.22 129.3 56.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.13 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -90.78 114.54 26.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.533 HD12 HG22 ' A' ' 88' ' ' VAL . 10.0 mt -85.89 28.87 0.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.459 ' HB2' ' O ' ' A' ' 89' ' ' GLN . . . -84.43 29.51 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.087 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 41.4 m -96.44 167.54 11.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -105.97 -17.86 14.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -92.98 47.09 1.25 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.512 HD23 ' CZ3' ' A' ' 127' ' ' TRP . 12.7 mt -88.99 -51.98 5.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -41.39 -44.35 2.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 10.6 mtmm -67.72 -42.08 82.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 87.91 151.2 21.56 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.498 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . 0.512 ' CZ3' HD23 ' A' ' 123' ' ' LEU . 18.5 p90 -148.66 154.66 39.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.866 0.365 . . . . 0.0 110.882 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 87.4 m -122.83 137.35 54.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -168.09 155.8 8.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' TRP . . . . . . . . . . . . . 82.5 m95 -92.63 111.19 22.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -83.78 106.65 15.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -61.47 124.79 21.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.456 HD22 ' C ' ' A' ' 112' ' ' GLY . 48.2 mt -65.25 156.94 30.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.482 ' HA ' ' CD1' ' A' ' 10' ' ' LEU . 82.7 p -148.22 162.33 39.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.157 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -78.33 162.3 26.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.831 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -55.33 127.8 31.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.904 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 71.1 m -131.93 -45.1 0.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 70.04 165.22 5.04 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.474 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 113.1 3.26 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.691 2.261 . . . . 0.0 112.34 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 18.2 p -78.06 -34.59 50.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 22.8 t -120.17 162.41 19.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.473 -179.959 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -162.23 151.33 15.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.89 0.376 . . . . 0.0 110.864 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.9 p -153.63 164.65 37.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.21 122.92 0.76 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.47 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.1 p -174.35 173.34 3.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.879 0.371 . . . . 0.0 110.89 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.1 t -45.35 138.84 3.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.6 162.35 1.3 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.467 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 55.4 m -140.94 123.6 9.69 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.718 0.771 . . . . 0.0 110.862 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -20.09 35.29 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.742 2.295 . . . . 0.0 112.319 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.877 HD22 ' O ' ' A' ' 111' ' ' LEU . 24.4 mt -100.45 -34.45 9.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 134.19 -166.47 24.08 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.472 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.7 mp0 -140.39 -177.62 5.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.727 0.298 . . . . 0.0 110.916 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.655 HD12 ' SG ' ' A' ' 33' ' ' CYS . 5.5 tt -168.55 127.91 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.496 ' HB2' ' CE2' ' A' ' 130' ' ' TRP . 12.7 tt0 -101.25 125.75 47.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.826 HD11 HG11 ' A' ' 95' ' ' VAL . 19.3 mt -136.43 130.18 32.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.0 m -93.41 108.48 20.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.173 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 52.8 mt -100.86 119.77 49.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -149.32 109.03 4.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 -100.65 107.57 19.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.876 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.3 t -73.15 143.71 47.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.821 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.9 p -83.48 -45.71 13.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.842 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.421 ' CD ' ' O ' ' A' ' 22' ' ' GLN . 1.5 tm0? -60.77 -23.45 65.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -108.08 -24.89 11.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.1 m120 57.16 35.9 26.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.4 mttt -119.6 152.14 37.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.7 tp -104.83 104.83 14.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.2 mp -95.55 133.45 36.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.101 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.6 t -135.29 113.74 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.489 HG13 ' O ' ' A' ' 77' ' ' GLN . 13.1 t -98.02 127.33 50.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.446 HG22 HD22 ' A' ' 15' ' ' LEU . 24.9 t -101.04 85.58 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -48.3 -75.15 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -175.09 159.79 2.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.151 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.655 ' SG ' HD12 ' A' ' 13' ' ' ILE . 6.5 m -106.44 167.83 9.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.404 ' HB2' ' NH1' ' A' ' 34' ' ' ARG . 2.2 ptm85 -156.84 162.74 39.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 37.9 m-20 56.0 49.76 15.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.547 HD12 ' O ' ' A' ' 71' ' ' LEU . 85.3 mt -97.95 86.69 3.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.449 HD12 ' C ' ' A' ' 37' ' ' ILE . 2.0 pp -40.8 139.41 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.124 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.864 ' HB3' ' HA ' ' A' ' 41' ' ' GLU . . . -97.4 129.52 44.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.109 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -38.87 -41.77 0.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.5 t -132.09 29.24 4.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.864 ' HA ' ' HB3' ' A' ' 38' ' ' ALA . 17.5 mt-10 39.38 33.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -117.37 -38.11 3.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 151.77 108.57 0.39 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.482 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.4 m -112.44 177.81 4.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.9 0.381 . . . . 0.0 110.88 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 45' ' ' ASP . 0.1 OUTLIER -111.09 81.25 2.66 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.585 0.707 . . . . 0.0 110.902 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 137.95 36.8 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.717 2.278 . . . . 0.0 112.341 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.491 ' CB ' HG22 ' A' ' 66' ' ' VAL . 2.9 p90 -156.98 142.29 17.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.906 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.492 HG12 ' N ' ' A' ' 49' ' ' ARG . 40.0 t -89.4 157.91 2.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.147 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.492 ' N ' HG12 ' A' ' 48' ' ' VAL . 21.5 ttm180 -144.15 123.38 12.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.581 ' HE3' ' CD2' ' A' ' 79' ' ' PHE . 61.4 mtm -111.75 131.14 55.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -141.85 117.51 10.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 52' ' ' LEU . 6.0 tp -68.92 91.25 0.46 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.913 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.624 HD11 ' HB2' ' A' ' 94' ' ' ASP . 58.3 mt -71.73 151.41 93.39 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.631 0.729 . . . . 0.0 110.877 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 54.5 Cg_endo -69.7 -37.21 2.06 Favored 'Cis proline' 0 C--N 1.342 0.218 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.399 -0.189 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.459 ' C ' ' O ' ' A' ' 54' ' ' PRO . 86.3 m-20 -33.47 106.29 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.429 ' HE2' ' CD2' ' A' ' 53' ' ' LEU . 21.8 mttt -112.38 -0.1 15.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.449 ' HB2' ' CZ ' ' A' ' 57' ' ' ARG . 19.0 mtm105 -37.38 154.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 56.3 mtm180 -89.68 27.59 1.49 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.418 ' HB2' ' NH1' ' A' ' 57' ' ' ARG . 2.5 m -92.3 -56.4 3.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.839 -179.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -86.56 16.15 47.01 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.514 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 44.4 ttt180 -55.96 112.0 1.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.806 0.336 . . . . 0.0 110.864 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -133.31 135.31 44.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.7 ptpp? -141.71 171.3 14.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 70.4 p -96.24 173.13 7.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.196 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.47 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 9.3 m-70 -61.12 132.53 54.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.491 HG22 ' CB ' ' A' ' 47' ' ' TYR . 41.7 t -88.12 105.99 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 69.3 m -85.9 153.87 21.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.831 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.1 mttp -123.08 144.24 49.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.4 mptt 63.02 43.68 6.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.0 t -154.45 138.71 16.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.547 ' O ' HD12 ' A' ' 36' ' ' LEU . 2.0 mp -93.56 -36.29 12.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.947 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 35.9 p-10 -111.5 79.41 2.3 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.622 0.725 . . . . 0.0 110.888 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.587 ' HB2' ' CZ ' ' A' ' 75' ' ' PHE . 54.3 Cg_endo -69.73 145.06 56.17 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.675 2.25 . . . . 0.0 112.377 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.3 t -121.48 135.4 61.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.088 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.587 ' CZ ' ' HB2' ' A' ' 73' ' ' PRO . 7.9 m-85 -133.07 -37.59 0.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.0 t70 43.9 29.63 0.33 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.489 ' O ' HG13 ' A' ' 29' ' ' VAL . 6.1 tt0 -83.33 163.03 20.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.5 t -124.1 120.87 33.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.581 ' CD2' ' HE3' ' A' ' 50' ' ' MET . 1.9 m-85 -100.86 167.69 10.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -154.07 149.87 27.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -150.76 125.95 9.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 54.9 p -74.17 90.52 2.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.812 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.4 p -143.7 135.44 23.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.106 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.492 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 0.7 OUTLIER -75.24 149.02 38.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.855 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.611 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 7.5 tp -53.12 -44.29 96.79 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.619 0.723 . . . . 0.0 110.922 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 65.3 Cg_exo -48.07 -37.9 31.21 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.66 2.24 . . . . 0.0 112.342 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 89' ' ' GLN . 3.9 mp0 -81.71 -69.79 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.501 HG22 HD12 ' A' ' 118' ' ' LEU . 1.5 p -40.16 -27.33 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.089 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 87' ' ' GLU . 56.1 mt-30 -60.28 -52.0 67.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -84.37 7.21 20.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.835 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 32.6 mtp85 -110.09 165.45 11.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.408 HG23 ' O ' ' A' ' 116' ' ' VAL . 10.9 m -127.06 145.38 50.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.403 ' HB2' HD11 ' A' ' 118' ' ' LEU . 4.6 tp -90.59 110.06 21.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.624 ' HB2' HD11 ' A' ' 53' ' ' LEU . 8.0 t70 -77.67 105.48 8.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.826 HG11 HD11 ' A' ' 15' ' ' LEU . 15.4 t -119.93 102.91 13.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.108 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -123.47 132.3 53.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.078 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 60.3 t -113.13 104.79 17.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.98 172.59 12.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.469 ' OD1' ' N ' ' A' ' 100' ' ' SER . 9.1 t30 -81.3 132.79 35.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.469 ' N ' ' OD1' ' A' ' 99' ' ' ASN . 10.4 t -68.88 136.64 52.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -66.51 -139.89 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.476 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 109.42 -67.33 0.23 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.469 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -112.37 40.06 2.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.912 0.387 . . . . 0.0 110.88 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 74.6 mt -135.28 149.49 49.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.941 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 15.5 m -91.18 6.56 44.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.44 137.45 40.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.883 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -107.43 -9.97 15.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 26.9 mmtm -83.33 22.17 1.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -78.63 54.75 4.11 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.494 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.7 tp -74.82 129.51 37.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.82 0.343 . . . . 0.0 110.952 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.877 ' O ' HD22 ' A' ' 10' ' ' LEU . 16.6 mt -92.16 -44.13 8.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.615 ' C ' HD22 ' A' ' 133' ' ' LEU . . . -172.83 151.03 13.16 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.494 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.682 ' N ' HD22 ' A' ' 133' ' ' LEU . 10.0 ptmm? -150.22 161.0 43.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.806 0.336 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 14.3 p -159.15 130.99 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.528 HD22 ' N ' ' A' ' 115' ' ' LEU . 2.9 mm? -97.53 148.93 22.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.408 ' O ' HG23 ' A' ' 92' ' ' THR . 93.7 t -128.79 134.86 63.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.133 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -87.48 113.08 22.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.501 HD12 HG22 ' A' ' 88' ' ' VAL . 9.9 mt -89.94 21.98 3.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -86.97 28.65 0.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.045 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.1 m -91.3 172.95 8.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.85 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -110.17 -28.62 8.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -82.78 48.94 1.4 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.408 HD23 ' CZ3' ' A' ' 127' ' ' TRP . 12.6 mt -88.29 -48.13 7.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -46.35 -38.16 8.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.108 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 24.4 mttp -77.19 -37.24 53.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 82.46 154.37 14.55 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.464 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . 0.408 ' CZ3' HD23 ' A' ' 123' ' ' LEU . 17.2 p90 -148.15 158.6 44.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.84 0.352 . . . . 0.0 110.939 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 85.6 m -129.0 134.23 48.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.125 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -167.82 155.86 8.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' TRP . . . . . 0.496 ' CE2' ' HB2' ' A' ' 14' ' ' GLN . 68.3 m95 -90.31 121.43 32.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -92.48 102.59 15.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -56.32 120.74 8.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.682 HD22 ' N ' ' A' ' 113' ' ' LYS . 20.4 mt -67.39 153.11 44.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 35.3 p -144.5 170.23 16.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -76.28 158.5 31.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -61.62 153.46 27.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 30.5 t -103.83 41.05 1.33 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -43.74 -92.69 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 140' ' ' SER . 53.0 Cg_endo -69.83 172.98 11.71 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.646 2.231 . . . . 0.0 112.311 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 139' ' ' PRO . 2.2 t 35.92 41.42 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 140' ' ' SER . 5.9 m -36.8 145.44 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.524 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t -112.49 121.62 45.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.889 0.376 . . . . 0.0 110.854 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.5 t -91.65 92.31 8.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.844 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.38 -126.1 4.61 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.453 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 t 52.0 52.24 14.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.878 0.371 . . . . 0.0 110.882 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.4 t -110.48 71.79 0.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.828 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.474 ' O ' ' C ' ' A' ' 8' ' ' SER . . . 95.95 40.35 4.08 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.445 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.474 ' C ' ' O ' ' A' ' 7' ' ' GLY . 64.9 p -32.55 95.94 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.618 0.723 . . . . 0.0 110.85 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.446 ' N ' ' O ' ' A' ' 7' ' ' GLY . 53.4 Cg_endo -69.8 -25.11 28.77 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.676 2.251 . . . . 0.0 112.33 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.462 HD22 ' O ' ' A' ' 111' ' ' LEU . 95.6 mt -100.79 -34.39 9.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 141.6 -176.42 21.88 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.427 ' HG3' ' CB ' ' A' ' 8' ' ' SER . 35.8 mt-30 -141.16 158.45 43.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.78 0.324 . . . . 0.0 110.944 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.3 tt -148.62 131.23 6.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.084 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.506 ' HB2' ' CE2' ' A' ' 130' ' ' TRP . 24.0 tt0 -98.78 119.13 37.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.816 HD11 HG11 ' A' ' 95' ' ' VAL . 46.4 mt -134.2 130.35 37.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 46.4 m -97.81 110.64 23.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.595 ' CD1' HG11 ' A' ' 116' ' ' VAL . 26.2 mt -99.72 123.07 52.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.155 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -152.59 111.59 3.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.43 ' ND1' ' C ' ' A' ' 19' ' ' HIS . 3.9 t-80 -103.42 117.65 34.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.824 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 24' ' ' ASN . 9.7 t -84.55 124.93 31.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 60.9 p -69.65 -35.22 75.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.821 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -66.45 -48.73 69.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.943 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.453 ' C ' ' CG ' ' A' ' 24' ' ' ASN . 24.8 mtp180 -87.25 -14.24 41.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.453 ' CG ' ' C ' ' A' ' 23' ' ' ARG . 0.7 OUTLIER 48.8 52.64 13.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.82 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.411 ' HE3' ' NH2' ' A' ' 23' ' ' ARG . 30.3 mttt -137.08 145.79 44.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.411 HD13 HG21 ' A' ' 88' ' ' VAL . 14.7 tp -99.32 108.71 21.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.422 HD12 ' N ' ' A' ' 27' ' ' ILE . 3.9 mp -100.17 126.61 53.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 18.0 t -131.65 116.01 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.8 t -94.46 148.6 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.4 t -125.47 84.34 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.176 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -51.71 -73.62 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -172.83 167.39 5.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.452 ' CB ' HD11 ' A' ' 36' ' ' LEU . 71.6 m -114.59 154.43 28.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -143.77 165.08 28.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 52.03 48.67 22.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.452 HD11 ' CB ' ' A' ' 33' ' ' CYS . 76.3 mt -99.56 93.62 5.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.952 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.624 HD12 ' C ' ' A' ' 37' ' ' ILE . 1.9 pp -51.64 149.08 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -114.99 130.6 56.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.068 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -48.24 -28.2 2.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 35.4 t -147.19 129.37 15.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -43.94 -40.21 4.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -38.94 -40.52 0.66 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 136.18 162.63 9.6 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.448 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.1 m -149.16 172.09 15.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.865 0.364 . . . . 0.0 110.866 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.43 84.97 15.38 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.636 0.731 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 144.93 55.58 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.666 2.244 . . . . 0.0 112.395 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.533 ' HB3' HG23 ' A' ' 66' ' ' VAL . 14.0 p90 -156.29 142.8 18.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.623 HG22 HG22 ' A' ' 97' ' ' VAL . 46.3 t -98.71 140.73 17.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.127 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.406 ' HD2' ' CE1' ' A' ' 51' ' ' TYR . 56.1 ttp180 -123.18 160.96 25.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.423 ' HE1' ' CD1' ' A' ' 79' ' ' PHE . 51.2 mtm -142.78 120.84 12.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.406 ' CE1' ' HD2' ' A' ' 49' ' ' ARG . 3.5 m-85 -128.76 126.83 40.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 52' ' ' LEU . 12.6 tp -78.06 86.56 4.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.903 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.533 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 50.1 mt -67.74 155.46 91.42 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.606 0.717 . . . . 0.0 110.883 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.6 Cg_endo -69.76 -50.35 0.19 OUTLIER 'Cis proline' 0 C--O 1.232 0.184 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.343 -0.163 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 54' ' ' PRO . 3.2 m-20 -34.33 132.64 0.27 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.495 ' CD ' ' O ' ' A' ' 54' ' ' PRO . 0.0 OUTLIER -128.16 38.07 4.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -41.29 137.62 1.38 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.7 tpt85 -72.63 -25.28 61.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.1 t -74.76 -35.39 62.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.77 -1.49 58.83 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -48.41 117.18 1.86 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.82 0.343 . . . . 0.0 110.877 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 47.8 mmt-85 -136.8 108.85 7.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.2 ptmt -130.79 170.2 14.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 58.2 p -98.25 168.04 10.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.159 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -52.57 150.55 4.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.718 HG21 ' HB3' ' A' ' 100' ' ' SER . 10.4 p -111.55 99.53 8.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.096 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.4 m -73.95 152.65 40.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -120.89 161.82 20.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp 52.4 40.64 29.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.6 t -156.27 148.69 23.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.146 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 34.3 mt -105.67 -17.21 14.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -123.09 80.8 51.42 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.608 0.718 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 154.86 67.33 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.386 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 59.4 t -135.3 128.24 48.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.106 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -121.44 -64.06 1.26 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.9 t70 69.16 34.76 2.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.932 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -100.67 156.58 17.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.1 t -126.63 120.86 30.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.831 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.432 ' CD1' ' N ' ' A' ' 79' ' ' PHE . 3.3 m-85 -98.02 171.8 8.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -152.29 144.73 24.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.404 ' O ' HG12 ' A' ' 83' ' ' VAL . 7.2 m-85 -142.32 121.25 12.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 34.1 p -68.2 89.86 0.33 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.404 HG12 ' O ' ' A' ' 81' ' ' PHE . 2.8 p -143.7 136.13 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.435 ' C ' ' HD2' ' A' ' 86' ' ' PRO . 1.0 OUTLIER -74.77 144.18 43.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.855 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.566 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 3.2 tp -49.41 -46.28 77.74 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.606 0.717 . . . . 0.0 110.919 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.566 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 65.3 Cg_exo -47.96 -40.91 33.24 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.701 2.267 . . . . 0.0 112.333 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -79.69 -49.64 11.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.55 HG12 ' HA ' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -62.77 -16.87 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.449 ' O ' ' HB2' ' A' ' 119' ' ' ALA . 12.6 mt-30 -61.59 -54.33 44.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.942 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.12 -30.68 58.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 85.9 mtt-85 -65.74 172.6 3.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.7 m -141.9 144.58 33.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.0 tp -87.15 109.78 19.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.5 101.87 10.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.816 HG11 HD11 ' A' ' 15' ' ' LEU . 18.2 t -112.87 109.61 29.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -132.51 131.63 41.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.107 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.623 HG22 HG22 ' A' ' 48' ' ' VAL . 84.1 t -107.05 105.73 19.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.01 177.66 4.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -98.78 121.43 40.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.718 ' HB3' HG21 ' A' ' 66' ' ' VAL . 14.2 t -65.1 106.03 1.2 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.83 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -167.7 54.03 0.23 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.451 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -115.6 93.68 0.63 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -76.51 -48.11 20.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.877 0.37 . . . . 0.0 110.907 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 6.4 mp -91.06 -52.04 5.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 48.8 m -140.25 -179.35 5.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.2 mmtp -51.83 158.25 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.906 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -51.96 133.19 32.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.852 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.79 17.24 13.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -146.79 110.8 0.54 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.5 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.0 tp -87.93 125.57 34.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.813 0.339 . . . . 0.0 110.898 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.462 ' O ' HD22 ' A' ' 10' ' ' LEU . 44.5 mt -82.09 -41.56 20.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 179.12 152.94 11.0 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.491 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.488 ' N ' HD22 ' A' ' 133' ' ' LEU . 13.8 ptmt -153.02 153.21 32.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.814 0.34 . . . . 0.0 110.877 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.722 HG21 ' HB3' ' A' ' 131' ' ' TYR . 7.3 p -148.19 126.37 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.157 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -92.5 147.96 22.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.595 HG11 ' CD1' ' A' ' 17' ' ' ILE . 69.7 t -131.87 118.96 39.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.087 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.91 111.13 10.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.498 HD22 HG21 ' A' ' 17' ' ' ILE . 11.2 mt -87.01 19.15 3.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' ' 89' ' ' GLN . . . -82.85 8.52 12.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 96.6 p -74.73 165.03 25.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -104.05 -8.58 19.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -75.03 -9.15 58.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 12.6 mt -51.29 -32.74 25.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.401 ' HB3' ' HD2' ' A' ' 125' ' ' LYS . . . -50.66 -29.64 11.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.401 ' HD2' ' HB3' ' A' ' 124' ' ' ALA . 0.9 OUTLIER -113.38 -51.91 2.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 108.78 156.39 17.86 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.486 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 36.5 p90 -145.93 154.98 42.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.806 0.336 . . . . 0.0 110.965 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 27.2 m -120.66 130.82 54.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.104 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -163.63 160.39 22.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.941 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' TRP . . . . . 0.506 ' CE2' ' HB2' ' A' ' 14' ' ' GLN . 81.0 m95 -93.75 120.04 33.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.722 ' HB3' HG21 ' A' ' 114' ' ' VAL . 23.0 m-85 -88.93 102.35 14.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -56.99 117.8 4.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.488 HD22 ' N ' ' A' ' 113' ' ' LYS . 14.1 mt -64.72 133.19 51.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 81.6 p -121.73 -179.75 4.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -85.65 164.08 17.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -82.08 176.01 9.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.867 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 29.4 t -130.35 -40.86 1.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -111.0 82.69 0.3 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -31.32 21.01 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.71 2.273 . . . . 0.0 112.348 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 54.2 p -66.11 133.86 51.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.811 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 8.5 t -96.49 -56.8 2.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.884 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.455 -179.979 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -138.4 146.56 42.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.905 0.383 . . . . 0.0 110.867 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.3 p -84.87 -43.93 13.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.8 -136.12 12.52 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.506 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.4 m -131.31 171.79 12.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.832 0.349 . . . . 0.0 110.91 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.1 t -90.1 135.14 33.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.832 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 49.19 -158.99 1.01 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 62.8 m -122.33 83.16 46.19 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.664 0.745 . . . . 0.0 110.846 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -20.37 34.85 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.651 2.234 . . . . 0.0 112.303 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.937 HD22 ' O ' ' A' ' 111' ' ' LEU . 95.8 mt -92.98 -46.04 7.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 146.64 -169.65 27.78 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.516 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -144.16 158.86 43.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.792 0.33 . . . . 0.0 110.929 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.664 HD12 ' SG ' ' A' ' 33' ' ' CYS . 2.9 tt -154.36 134.77 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.447 ' OE1' ' CD1' ' A' ' 130' ' ' TRP . 6.4 tt0 -104.46 123.87 48.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.906 HD11 HG11 ' A' ' 95' ' ' VAL . 21.7 mt -132.6 124.31 28.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.9 m -88.22 108.08 19.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.187 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.442 ' CD1' HG11 ' A' ' 116' ' ' VAL . 53.3 mt -101.52 122.23 53.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.143 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.451 ' HG3' ' CA ' ' A' ' 126' ' ' GLY . 13.7 ttm105 -151.53 106.26 3.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -98.42 116.22 30.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.823 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 24' ' ' ASN . 14.9 t -81.95 129.83 34.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.5 p -73.36 -43.32 60.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -61.13 -40.4 93.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 66.5 mtt180 -92.7 -24.03 18.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 20' ' ' SER . 12.7 m-80 56.38 51.89 10.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.2 mttm -132.18 150.04 52.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.421 HD21 HD13 ' A' ' 93' ' ' LEU . 24.0 tp -105.5 104.46 14.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.462 HG23 ' O ' ' A' ' 79' ' ' PHE . 5.4 mp -100.55 137.46 28.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.116 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.9 t -137.17 116.12 14.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.165 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.5 t -96.63 129.78 46.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.5 t -108.65 83.49 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.126 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.547 ' O ' HG23 ' A' ' 74' ' ' VAL . 96.6 m-70 -51.63 -73.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.836 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.61 ' HB2' HG23 ' A' ' 74' ' ' VAL . . . -174.57 159.01 2.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.044 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.664 ' SG ' HD12 ' A' ' 13' ' ' ILE . 38.2 m -106.2 164.01 12.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.481 ' HD3' ' CH2' ' A' ' 130' ' ' TRP . 7.3 ptm180 -149.95 161.03 43.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 59.16 41.73 19.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.9 mt -95.02 94.03 7.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.649 HD11 HD22 ' A' ' 111' ' ' LEU . 2.2 pp -50.59 160.37 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -122.86 134.84 54.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -59.83 -22.58 62.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.2 t -154.54 119.79 5.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.845 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 42' ' ' ASP . 18.6 tt0 -37.64 -41.48 0.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 41' ' ' GLU . 5.1 t0 -37.02 -47.47 0.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 150.39 146.65 4.37 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.516 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.3 p -128.78 163.68 24.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.884 0.373 . . . . 0.0 110.86 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.8 81.04 6.97 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.621 0.724 . . . . 0.0 110.875 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 148.18 64.44 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.704 2.269 . . . . 0.0 112.319 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.693 ' HB3' HG22 ' A' ' 66' ' ' VAL . 21.8 p90 -161.96 154.48 19.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.6 t -104.33 142.5 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.116 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 29.7 ttt180 -131.04 124.84 31.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 69.8 mtm -115.89 118.47 33.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -124.63 122.94 38.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 52' ' ' LEU . 9.3 tp -74.8 88.43 2.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.543 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 83.8 mt -67.78 153.56 94.93 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.611 0.72 . . . . 0.0 110.936 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.8 Cg_endo -69.72 -38.41 1.63 Allowed 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.345 -0.14 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.454 ' C ' ' O ' ' A' ' 54' ' ' PRO . 13.8 t70 -34.29 114.09 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -116.15 -5.58 11.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -44.32 168.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.6 tmm_? -78.62 -18.9 53.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.6 t -59.69 -23.7 63.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -111.53 12.67 27.96 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.493 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.421 ' C ' ' HD2' ' A' ' 61' ' ' ARG . 0.4 OUTLIER -61.81 115.67 4.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.758 0.313 . . . . 0.0 110.877 -179.854 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -137.28 113.94 10.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.1 pttm -145.6 164.38 31.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.454 HG22 ' CZ ' ' A' ' 79' ' ' PHE . 10.2 p -97.95 175.24 6.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.11 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.433 ' CG ' ' N ' ' A' ' 66' ' ' VAL . 86.5 t60 -57.35 166.56 1.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.693 HG22 ' HB3' ' A' ' 47' ' ' TYR . 23.3 t -111.32 99.64 9.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.541 ' HB3' HG21 ' A' ' 70' ' ' THR . 20.0 m -66.24 142.48 57.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.7 mtpt -117.34 154.72 30.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.4 mptt 46.25 54.14 8.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.884 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.541 HG21 ' HB3' ' A' ' 67' ' ' SER . 11.9 t -162.78 149.71 13.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 46.0 mt -107.96 -32.97 7.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.886 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -107.55 75.69 0.49 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.606 0.717 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 152.49 69.53 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.701 2.268 . . . . 0.0 112.313 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.61 HG23 ' HB2' ' A' ' 32' ' ' ALA . 2.5 p -147.54 120.13 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.141 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.45 ' O ' ' CG ' ' A' ' 76' ' ' ASP . 0.8 OUTLIER -110.85 -32.68 6.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.45 ' CG ' ' O ' ' A' ' 75' ' ' PHE . 0.7 OUTLIER 47.23 39.42 8.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -97.65 145.11 26.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 37.3 t -113.74 113.09 24.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.462 ' O ' HG23 ' A' ' 27' ' ' ILE . 19.8 m-85 -96.74 170.37 9.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.88 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -153.7 143.39 21.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.877 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -137.09 126.93 25.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 69.1 p -74.35 90.26 2.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.826 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.7 p -143.56 134.63 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.173 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.465 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 1.5 m -74.25 147.97 41.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.607 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 4.4 tp -52.47 -44.63 94.77 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.59 0.71 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.607 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 65.6 Cg_exo -48.02 -41.58 33.03 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.664 2.243 . . . . 0.0 112.333 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -79.16 -64.89 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.625 HG22 HD12 ' A' ' 118' ' ' LEU . 1.3 p -42.12 -40.74 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.112 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.462 ' N ' ' CG1' ' A' ' 88' ' ' VAL . 65.2 mt-30 -45.26 -43.22 10.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 87.2 mtt-85 -84.84 -20.35 31.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 55.5 mtt180 -82.67 168.39 17.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 25.9 m -135.75 145.74 46.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.178 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.421 HD13 HD21 ' A' ' 26' ' ' LEU . 5.3 tp -91.2 96.57 10.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.645 ' HA ' HD13 ' A' ' 115' ' ' LEU . 23.5 t70 -71.63 99.31 2.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.906 HG11 HD11 ' A' ' 15' ' ' LEU . 11.6 t -108.6 106.63 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.115 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -122.89 125.62 45.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.133 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 43.3 t -108.68 101.56 12.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.1 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.76 -176.75 3.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.483 ' HB3' HD11 ' A' ' 111' ' ' LEU . 6.6 p30 -99.22 115.64 29.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.8 t -42.65 98.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -101.06 -117.25 4.16 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.532 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -39.6 99.71 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.49 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -60.64 127.92 34.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.838 0.352 . . . . 0.0 110.931 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.5 mm? 40.26 43.42 1.41 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.932 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.1 t -156.86 177.18 11.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.812 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.7 ptmt -42.62 143.33 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.56 109.21 16.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 9.1 pttt -116.99 22.06 12.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.825 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -123.89 70.79 0.44 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.532 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 14.5 tp -93.51 126.07 38.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.836 0.35 . . . . 0.0 110.914 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.937 ' O ' HD22 ' A' ' 10' ' ' LEU . 54.5 mt -89.88 -52.13 5.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.617 ' C ' HD22 ' A' ' 133' ' ' LEU . . . -163.77 147.98 13.95 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.475 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -149.36 160.09 43.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.814 0.34 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.558 HG11 ' HB3' ' A' ' 131' ' ' TYR . 7.2 p -154.9 127.07 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.143 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.645 HD13 ' HA ' ' A' ' 94' ' ' ASP . 3.5 mm? -90.85 146.37 23.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.442 HG11 ' CD1' ' A' ' 17' ' ' ILE . 92.2 t -128.11 116.99 44.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.104 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.41 111.01 8.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.077 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.625 HD12 HG22 ' A' ' 88' ' ' VAL . 11.9 mt -83.58 19.57 1.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.938 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -83.51 19.41 1.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 42.0 m -83.23 161.91 21.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -106.0 -17.9 14.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -90.53 41.12 1.04 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 13.5 mt -83.49 -49.87 8.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -42.0 -42.37 2.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.445 ' HG3' ' N ' ' A' ' 126' ' ' GLY . 37.0 pttt -71.89 -43.69 64.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.451 ' CA ' ' HG3' ' A' ' 18' ' ' ARG . . . 89.99 147.25 16.81 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 15.3 p90 -144.92 156.69 44.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.844 0.354 . . . . 0.0 110.878 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 98.9 m -130.28 131.85 45.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -161.04 160.48 30.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.931 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' TRP . . . . . 0.481 ' CH2' ' HD3' ' A' ' 34' ' ' ARG . 73.8 m95 -93.64 109.94 21.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.944 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.558 ' HB3' HG11 ' A' ' 114' ' ' VAL . 26.7 m-85 -80.87 101.49 9.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -61.31 115.26 3.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.617 HD22 ' C ' ' A' ' 112' ' ' GLY . 30.1 mt -62.86 135.18 57.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.491 ' CA ' HD12 ' A' ' 10' ' ' LEU . 44.7 p -124.66 171.69 9.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -70.91 165.25 23.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 22.9 p-10 -66.27 130.57 43.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.843 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 18.0 m -124.71 128.03 48.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 96.11 82.56 1.62 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.454 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -29.73 23.26 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.655 2.236 . . . . 0.0 112.355 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 96.5 p -67.91 162.91 23.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.824 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 80.4 p -100.53 99.01 9.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.827 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.471 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.5 m -90.43 41.93 1.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.838 0.352 . . . . 0.0 110.84 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.5 m -42.33 112.13 0.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.14 -143.7 3.75 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.457 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.6 t -71.7 94.55 1.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.372 . . . . 0.0 110.829 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -99.98 88.23 3.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.828 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.87 108.69 0.21 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.415 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . 19.5 t -40.31 113.54 0.96 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.646 0.736 . . . . 0.0 110.862 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 8' ' ' SER . 53.5 Cg_endo -69.79 -23.28 30.82 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.674 2.249 . . . . 0.0 112.316 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.493 HD11 ' HG3' ' A' ' 135' ' ' GLU . 63.3 mt -101.22 -41.79 6.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.458 ' CA ' ' O ' ' A' ' 35' ' ' ASN . . . 142.73 175.93 16.35 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.457 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -130.1 172.53 11.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.785 0.326 . . . . 0.0 110.94 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.566 HD11 HD21 ' A' ' 15' ' ' LEU . 13.5 tt -163.48 130.33 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.131 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.605 ' O ' HD23 ' A' ' 15' ' ' LEU . 7.1 tt0 -99.43 122.46 42.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.951 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.891 HD22 HG22 ' A' ' 30' ' ' VAL . 39.5 mt -135.32 117.4 15.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.7 m -79.82 101.95 8.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.598 HG21 HD22 ' A' ' 118' ' ' LEU . 40.2 mt -96.84 111.7 27.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.132 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.0 ttm180 -143.44 125.61 15.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 38.6 t-80 -103.13 101.98 11.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.8 m -66.39 122.18 16.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 72.5 p -69.96 -46.23 65.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -63.36 -47.6 81.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.4 mtp85 -79.05 -22.53 45.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.5 m120 56.44 47.11 19.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.5 mttt -139.65 155.16 47.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.512 HD21 HD13 ' A' ' 93' ' ' LEU . 19.6 tp -101.36 104.1 15.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.893 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.7 mp -91.49 124.5 44.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.166 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 99.5 t -128.04 108.6 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.172 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.8 t -95.82 136.98 25.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.891 HG22 HD22 ' A' ' 15' ' ' LEU . 61.6 t -116.74 92.04 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -57.06 -72.21 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -172.27 161.09 5.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.112 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 9.0 m -113.81 154.55 27.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.1 ptt180 -142.66 174.13 10.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.458 ' O ' ' CA ' ' A' ' 11' ' ' GLY . 91.4 m-20 52.1 49.13 21.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.929 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.411 ' O ' HD22 ' A' ' 71' ' ' LEU . 89.3 mt -108.87 89.24 2.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.405 HD12 ' C ' ' A' ' 37' ' ' ILE . 2.7 pp -46.74 154.02 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.862 ' HB2' HD21 ' A' ' 71' ' ' LEU . . . -109.88 137.97 46.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.075 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -62.29 -21.95 65.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 41' ' ' GLU . 4.0 t -158.02 122.77 4.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 42' ' ' ASP . 10.5 tp10 -35.74 -43.46 0.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 41' ' ' GLU . 38.5 m-20 -35.33 -48.79 0.48 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 148.04 137.08 2.84 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.497 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.8 p -115.48 155.89 26.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 0.0 110.819 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.14 81.12 3.59 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.613 0.721 . . . . 0.0 110.824 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 137.01 34.58 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.688 2.258 . . . . 0.0 112.385 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.585 ' CB ' HG22 ' A' ' 66' ' ' VAL . 12.1 p90 -146.75 135.49 22.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.949 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 93.6 t -88.07 141.19 14.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.127 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.421 ' HD3' ' CE1' ' A' ' 51' ' ' TYR . 9.9 ttm180 -131.41 130.2 42.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.566 ' O ' ' CD1' ' A' ' 51' ' ' TYR . 63.9 mtm -113.53 151.48 31.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.566 ' CD1' ' O ' ' A' ' 50' ' ' MET . 12.3 m-85 -158.04 126.02 5.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.906 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 23.2 tp -85.37 80.7 9.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.959 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.528 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 1.5 mm? -61.76 154.49 66.52 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.587 0.708 . . . . 0.0 110.914 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.1 Cg_endo -69.82 -51.18 0.16 OUTLIER 'Cis proline' 0 C--O 1.231 0.148 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.323 -0.075 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -40.82 141.13 0.62 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.864 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 57' ' ' ARG . 4.0 mptt -129.75 22.62 5.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 56' ' ' LYS . 13.4 mmt180 -34.36 149.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 61' ' ' ARG . 57.4 mtt180 -69.4 -56.51 7.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.7 p -46.16 -22.29 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -93.09 -26.47 16.2 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.513 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.415 ' HG3' ' CZ ' ' A' ' 51' ' ' TYR . 15.6 ttt180 -60.48 105.27 0.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.848 0.356 . . . . 0.0 110.851 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.562 ' HB3' ' CD2' ' A' ' 79' ' ' PHE . 25.2 mmt85 -118.42 109.25 16.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.841 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -117.96 168.15 10.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 51.7 p -100.36 161.02 13.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 29.7 m80 -52.43 154.51 2.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.585 HG22 ' CB ' ' A' ' 47' ' ' TYR . 58.9 t -99.11 110.13 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.105 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 35.6 m -85.76 142.71 28.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -120.93 159.45 25.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.6 mptt 57.28 44.59 21.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.6 t -168.07 137.63 2.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.117 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.862 HD21 ' HB2' ' A' ' 38' ' ' ALA . 77.4 mt -92.34 -24.59 18.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -114.64 85.67 11.66 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.65 0.738 . . . . 0.0 110.93 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.455 ' HB2' ' CZ ' ' A' ' 75' ' ' PHE . 53.7 Cg_endo -69.77 155.11 66.76 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.694 2.263 . . . . 0.0 112.375 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 90.4 t -138.09 118.91 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.179 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.455 ' CZ ' ' HB2' ' A' ' 73' ' ' PRO . 1.4 m-85 -117.06 -53.26 2.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.2 t70 60.11 33.35 21.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -94.05 160.75 14.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 41.7 t -130.64 121.79 26.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.562 ' CD2' ' HB3' ' A' ' 62' ' ' ARG . 23.3 m-85 -105.92 170.04 8.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.903 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -147.94 155.16 41.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -148.21 129.94 15.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 55.1 p -76.79 91.04 3.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.7 p -143.48 135.16 23.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.103 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.492 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 1.0 OUTLIER -75.22 149.26 38.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.832 -179.81 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.824 HD13 ' C ' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -52.81 -44.58 96.38 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.604 0.716 . . . . 0.0 110.904 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.738 ' N ' HD13 ' A' ' 85' ' ' LEU . 65.0 Cg_exo -47.92 -41.63 32.31 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.654 2.236 . . . . 0.0 112.362 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 89' ' ' GLN . 1.0 OUTLIER -80.92 -60.15 2.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.521 HG12 ' O ' ' A' ' 85' ' ' LEU . 0.7 OUTLIER -38.16 -26.67 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.104 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.762 ' NE2' HD11 ' A' ' 85' ' ' LEU . 73.0 mt-30 -62.58 -54.55 37.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -75.32 -18.14 60.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 76.8 mtt-85 -79.03 171.15 15.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.9 m -141.52 144.59 34.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.148 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.512 HD13 HD21 ' A' ' 26' ' ' LEU . 3.9 tp -95.46 95.86 8.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.62 99.97 1.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.905 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.788 HG11 HD11 ' A' ' 15' ' ' LEU . 39.3 t -108.85 101.23 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -119.61 124.53 46.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.084 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 70.5 t -108.07 102.2 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.127 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.603 ' NZ ' HD13 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -135.19 176.46 8.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.908 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -86.23 146.55 26.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 46.3 t -75.87 105.98 7.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 91.8 96.79 1.32 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.469 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -66.36 -99.41 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.483 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -153.29 163.92 39.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.853 0.358 . . . . 0.0 110.895 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 90.0 mt -37.85 -58.16 0.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.955 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.8 m -39.94 -71.99 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.2 mtmm -145.16 145.59 31.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.64 20.44 6.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.899 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.11 5.73 36.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -46.57 97.76 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.469 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.603 HD13 ' NZ ' ' A' ' 98' ' ' LYS . 3.8 tp -102.7 133.24 48.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.79 0.329 . . . . 0.0 110.959 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 96.2 mt -94.18 -42.52 8.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -175.64 132.18 2.08 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.443 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -134.45 154.89 51.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.815 0.34 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.448 HG13 ' O ' ' A' ' 114' ' ' VAL . 11.8 p -154.3 123.82 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.177 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -90.77 144.59 25.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 86.1 t -128.55 115.61 38.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.142 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.76 111.8 9.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.598 HD22 HG21 ' A' ' 17' ' ' ILE . 12.0 mt -84.52 26.82 0.76 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -90.99 19.45 5.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.117 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.1 m -90.03 154.2 19.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -96.96 24.56 6.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.903 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -104.91 -11.44 16.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 19.5 mt -54.27 -36.18 63.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -42.96 -29.54 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -111.69 -56.74 2.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 114.48 152.46 10.49 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 28.6 p90 -145.83 156.59 43.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.832 0.349 . . . . 0.0 110.923 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 97.3 m -129.05 132.69 47.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.116 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -164.79 157.82 16.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' TRP . . . . . . . . . . . . . 49.3 m95 -89.18 100.8 13.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -70.86 102.72 2.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.948 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -58.97 115.38 3.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 75.0 mt -64.51 143.77 57.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 79.3 p -125.82 174.38 8.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.493 ' HG3' HD11 ' A' ' 10' ' ' LEU . 56.6 mt-10 -78.63 169.75 17.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -74.26 136.73 42.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 97.2 p -116.72 148.98 40.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.832 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 110.54 73.09 0.71 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 141.41 45.14 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.667 2.245 . . . . 0.0 112.356 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.1 t -162.45 130.57 3.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.87 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 29.5 p -102.48 150.34 23.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.522 179.999 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.2 m 49.15 46.96 22.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.84 0.353 . . . . 0.0 110.825 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.0 p -95.13 -46.35 6.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.64 123.35 1.57 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 t -98.8 99.11 10.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.849 0.356 . . . . 0.0 110.89 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.1 t -128.54 127.18 41.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.08 106.81 2.53 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.46 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.9 p -170.35 116.2 0.48 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.671 0.748 . . . . 0.0 110.826 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.86 -27.57 25.85 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.68 2.253 . . . . 0.0 112.346 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.5 HD11 ' HG3' ' A' ' 135' ' ' GLU . 71.4 mt -81.65 -48.0 12.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.931 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 143.02 -178.81 21.04 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.457 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -138.16 175.08 9.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.782 0.325 . . . . 0.0 110.937 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.9 tt -155.9 131.57 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.129 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.453 ' NE2' ' NE1' ' A' ' 130' ' ' TRP . 31.5 tt0 -98.86 119.29 37.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.588 HD11 HG11 ' A' ' 95' ' ' VAL . 11.2 mt -136.61 138.61 41.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 97.0 m -104.6 105.72 15.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.507 ' CD1' HG11 ' A' ' 116' ' ' VAL . 28.1 mt -97.71 125.41 50.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.079 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 38.0 ttt180 -155.65 110.55 2.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.457 ' NE2' ' N ' ' A' ' 85' ' ' LEU . 8.4 t-80 -98.04 113.37 25.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.814 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.6 t -79.51 131.67 36.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.9 p -76.34 -30.74 57.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.835 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -73.56 -48.0 36.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.443 ' O ' ' CG ' ' A' ' 24' ' ' ASN . 13.6 mmm-85 -87.86 -12.59 44.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.443 ' CG ' ' O ' ' A' ' 23' ' ' ARG . 5.6 p-10 46.56 50.48 12.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.5 mttm -133.77 150.57 51.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.472 HD13 HG21 ' A' ' 88' ' ' VAL . 19.4 tp -105.54 107.09 17.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.3 mp -95.77 125.92 48.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.161 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.441 HG11 HD21 ' A' ' 93' ' ' LEU . 42.3 t -128.58 106.93 15.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.169 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.452 HG22 ' CB ' ' A' ' 78' ' ' SER . 49.1 t -92.8 138.01 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.097 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.515 HG22 HD22 ' A' ' 15' ' ' LEU . 82.4 t -114.68 79.72 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.119 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -44.75 -72.52 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -172.13 163.37 5.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.081 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 63.3 m -115.4 144.22 44.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.826 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.5 ptt180 -136.38 163.81 29.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 61.46 45.03 8.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 76.9 mt -101.34 94.95 6.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.942 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.642 ' O ' HD12 ' A' ' 37' ' ' ILE . 2.7 pp -53.94 136.25 15.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.589 ' HB2' ' CD2' ' A' ' 71' ' ' LEU . . . -98.98 132.27 44.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -52.61 -34.78 52.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.4 t -134.4 120.78 20.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.853 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 42' ' ' ASP . 44.2 mt-10 -37.45 -48.85 0.99 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 41' ' ' GLU . 1.3 m-20 -36.25 -46.0 0.49 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 157.58 164.23 13.57 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.471 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.433 ' HB3' ' HB1' ' A' ' 38' ' ' ALA . 59.0 p -146.0 159.36 43.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.863 0.363 . . . . 0.0 110.838 -179.726 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.471 ' HB2' ' CG1' ' A' ' 66' ' ' VAL . 17.7 p30 -113.14 82.63 5.66 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.626 0.727 . . . . 0.0 110.867 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 149.53 66.72 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.707 2.272 . . . . 0.0 112.344 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.446 ' HB3' HG22 ' A' ' 66' ' ' VAL . 6.2 p90 -161.1 143.15 12.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.866 HG22 HG22 ' A' ' 97' ' ' VAL . 65.8 t -102.01 147.68 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.123 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -133.8 136.0 44.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.862 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.447 ' HE1' ' CD1' ' A' ' 79' ' ' PHE . 50.7 mtm -114.42 143.86 44.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.508 ' CZ ' ' HG3' ' A' ' 61' ' ' ARG . 11.7 m-85 -151.04 114.18 4.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.415 ' O ' ' O ' ' A' ' 55' ' ' ASP . 15.1 tp -70.35 79.54 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.534 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 79.0 mt -57.89 155.54 22.82 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.584 0.707 . . . . 0.0 110.906 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.7 Cg_endo -69.77 -51.62 0.16 OUTLIER 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.65 -1.813 . . . . 0.0 112.38 -0.152 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.415 ' O ' ' O ' ' A' ' 52' ' ' LEU . 5.1 m-20 -47.81 142.82 4.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.903 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.467 ' N ' ' HD3' ' A' ' 56' ' ' LYS . 2.0 mppt? -116.69 23.42 12.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -38.52 157.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.887 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 61' ' ' ARG . 38.8 mtt85 -60.23 -53.22 60.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 58' ' ' ARG . 58.7 m -37.33 -55.51 1.02 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.814 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.63 -23.92 77.42 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.511 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.508 ' HG3' ' CZ ' ' A' ' 51' ' ' TYR . 15.1 ttt180 -71.34 105.88 3.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.825 0.345 . . . . 0.0 110.861 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.572 ' HB3' ' CD2' ' A' ' 79' ' ' PHE . 15.1 mmt85 -136.58 118.33 15.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.04 164.08 14.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 77.8 p -103.79 166.44 10.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.148 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 60.5 t60 -51.95 158.14 1.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.471 ' CG1' ' HB2' ' A' ' 45' ' ' ASP . 70.8 t -106.51 102.28 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.419 ' HB3' HG21 ' A' ' 70' ' ' THR . 3.1 m -68.35 142.74 55.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.9 mmtt -119.32 144.84 46.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm 57.99 46.33 16.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.419 HG21 ' HB3' ' A' ' 67' ' ' SER . 13.8 t -161.65 153.39 19.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.589 ' CD2' ' HB2' ' A' ' 38' ' ' ALA . 94.0 mt -104.95 -27.8 11.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.539 ' ND2' ' C ' ' A' ' 72' ' ' ASN . 0.5 OUTLIER -113.81 89.35 15.93 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.636 0.732 . . . . 0.0 110.908 179.909 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.449 ' HB2' ' CZ ' ' A' ' 75' ' ' PHE . 53.4 Cg_endo -69.75 149.93 67.6 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.706 2.27 . . . . 0.0 112.335 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 46.2 t -131.33 113.19 22.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.186 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.449 ' CZ ' ' HB2' ' A' ' 73' ' ' PRO . 11.3 m-85 -110.98 -56.53 2.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.5 t70 63.72 36.76 10.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -100.76 160.33 14.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.452 ' CB ' HG22 ' A' ' 29' ' ' VAL . 29.4 t -130.74 117.19 19.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.572 ' CD2' ' HB3' ' A' ' 62' ' ' ARG . 32.4 m-85 -100.06 161.19 13.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -141.32 153.31 45.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -146.47 132.73 19.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 63.8 p -77.27 91.43 3.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.88 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.5 p -143.51 132.48 19.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.126 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.48 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 1.1 m -74.7 147.72 41.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.846 HD13 ' C ' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -52.97 -44.37 96.7 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.655 0.741 . . . . 0.0 110.967 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.724 ' N ' HD13 ' A' ' 85' ' ' LEU . 65.5 Cg_exo -48.06 -37.58 30.48 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.656 2.237 . . . . 0.0 112.355 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 89' ' ' GLN . 5.2 mm-40 -85.62 -59.64 2.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.915 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.489 HG12 ' O ' ' A' ' 85' ' ' LEU . 0.9 OUTLIER -38.26 -26.46 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.781 ' NE2' HD11 ' A' ' 85' ' ' LEU . 70.6 mt-30 -61.51 -48.39 81.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 76.0 mtt180 -78.83 -22.38 46.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 67.2 mtt-85 -78.32 171.66 14.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.6 m -145.59 136.95 25.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.195 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.441 HD21 HG11 ' A' ' 28' ' ' VAL . 3.0 tp -82.9 100.25 10.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.508 ' HA ' HD13 ' A' ' 115' ' ' LEU . 13.1 t70 -76.06 100.44 4.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.588 HG11 HD11 ' A' ' 15' ' ' LEU . 11.7 t -108.79 108.96 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -127.9 126.47 41.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.103 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.866 HG22 HG22 ' A' ' 48' ' ' VAL . 90.7 t -104.06 104.51 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.14 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 35.7 mttt -122.22 176.04 6.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.689 ' HB3' HD11 ' A' ' 111' ' ' LEU . 25.9 p30 -106.8 139.81 40.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 42.7 t -70.49 99.72 1.66 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -160.48 41.55 0.44 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -76.15 149.34 37.37 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.513 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.689 ' HB3' HD23 ' A' ' 104' ' ' LEU . 10.5 t80 -88.65 -51.3 5.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.885 0.374 . . . . 0.0 110.906 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.689 HD23 ' HB3' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -101.94 -75.07 0.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.935 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 71.6 m -112.64 -47.17 3.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.92 168.98 18.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.857 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -94.99 152.26 18.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 48.6 mttp -103.45 17.85 23.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -109.71 91.33 0.63 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.469 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.8 tp -81.12 121.88 26.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.861 0.362 . . . . 0.0 110.928 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.689 HD11 ' HB3' ' A' ' 99' ' ' ASN . 76.9 mt -85.37 -34.48 21.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.451 ' C ' HD22 ' A' ' 133' ' ' LEU . . . 175.79 150.92 8.32 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.442 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.433 ' N ' HD22 ' A' ' 133' ' ' LEU . 4.7 ptmm? -156.71 150.23 24.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.348 . . . . 0.0 110.902 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.453 HG13 ' O ' ' A' ' 114' ' ' VAL . 14.8 p -154.67 125.41 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.165 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.508 HD13 ' HA ' ' A' ' 94' ' ' ASP . 1.1 mm? -88.53 155.6 19.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.953 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.507 HG11 ' CD1' ' A' ' 17' ' ' ILE . 75.6 t -134.13 108.65 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.57 109.96 3.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 6.7 mt -85.39 26.27 0.93 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -87.55 27.89 1.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.081 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 56.5 m -93.17 160.42 14.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -101.47 -17.02 16.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -91.76 41.65 1.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.401 HD23 ' CZ3' ' A' ' 127' ' ' TRP . 11.6 mt -83.15 -51.82 7.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -40.61 -41.51 1.5 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 32.9 mtpt -72.07 -45.49 60.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 91.64 153.13 29.33 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.472 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . 0.401 ' CZ3' HD23 ' A' ' 123' ' ' LEU . 15.2 p90 -147.87 159.73 43.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.885 0.374 . . . . 0.0 110.895 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 88.5 m -133.87 130.01 37.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.152 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -165.17 163.56 20.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' TRP . . . . . 0.453 ' NE1' ' NE2' ' A' ' 14' ' ' GLN . 85.1 m95 -93.8 124.24 37.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.947 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -95.25 101.2 12.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.96 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.411 ' O ' ' CG ' ' A' ' 132' ' ' ASP . 0.7 OUTLIER -56.91 115.28 2.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.451 HD22 ' C ' ' A' ' 112' ' ' GLY . 55.5 mt -63.62 143.24 57.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 76.6 p -131.48 158.55 40.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.5 ' HG3' HD11 ' A' ' 10' ' ' LEU . 39.4 mt-10 -71.31 154.42 41.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -59.48 140.67 56.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 50.2 m -116.94 124.46 49.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 165.02 74.61 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.511 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 92.91 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.691 2.261 . . . . 0.0 112.375 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 52.4 m 48.41 43.03 19.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.819 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 2.8 m -161.23 126.46 3.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.485 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.3 m -110.7 96.27 6.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.832 0.348 . . . . 0.0 110.846 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.0 p -36.79 149.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.815 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.81 120.71 5.33 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.496 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 t -90.68 133.23 35.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 0.0 110.843 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -78.88 113.41 16.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.868 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.92 52.28 0.4 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.542 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.3 p -166.02 122.91 1.02 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.644 0.735 . . . . 0.0 110.891 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -29.12 24.66 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.682 2.254 . . . . 0.0 112.377 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.8 mt -76.36 -52.7 9.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 148.59 -174.96 28.09 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.512 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -136.19 175.01 9.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.783 0.325 . . . . 0.0 110.919 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.664 HD11 HD21 ' A' ' 15' ' ' LEU . 15.1 tt -161.54 134.93 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.173 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.524 ' HB2' ' CZ2' ' A' ' 130' ' ' TRP . 23.4 tt0 -99.46 119.79 38.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.664 HD21 HD11 ' A' ' 13' ' ' ILE . 13.0 mt -137.03 138.75 40.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.951 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 90.4 m -103.93 109.1 20.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.513 HD12 HG11 ' A' ' 116' ' ' VAL . 78.9 mt -100.76 118.2 47.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.125 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 38.1 ttp180 -147.82 115.82 6.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.2 t-80 -97.97 107.01 19.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.802 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.4 m -74.6 120.94 20.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.844 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 25.0 p -68.12 -54.69 16.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.858 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -51.56 -44.09 62.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.7 mmm180 -83.26 -20.23 34.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.7 m120 55.07 45.9 25.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.0 mttm -137.49 158.48 44.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 39.0 tp -106.32 108.53 20.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.5 mp -96.98 133.07 39.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 92.2 t -139.82 109.8 3.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.461 HG22 ' HB2' ' A' ' 78' ' ' SER . 57.3 t -91.41 142.55 12.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.149 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.579 HG22 HD22 ' A' ' 15' ' ' LEU . 57.7 t -121.72 94.57 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.161 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -61.13 -73.54 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -171.81 163.56 6.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.575 ' SG ' HD12 ' A' ' 13' ' ' ILE . 63.1 m -112.88 147.2 37.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -139.43 165.07 28.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 62.22 39.25 12.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 48.2 mt -96.0 106.88 19.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.556 ' O ' HD12 ' A' ' 37' ' ' ILE . 2.5 pp -61.6 139.65 20.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.652 ' HB2' HD21 ' A' ' 71' ' ' LEU . . . -99.01 113.6 25.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.127 179.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -41.17 -36.35 0.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 41' ' ' GLU . 34.9 t -135.22 116.9 14.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 40' ' ' SER . 12.8 mt-10 -35.55 -45.58 0.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -38.9 -48.54 1.58 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 153.76 139.86 2.94 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.522 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 79.0 p -120.75 159.77 24.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.868 0.366 . . . . 0.0 110.858 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.23 81.72 1.38 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.604 0.716 . . . . 0.0 110.862 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 138.59 38.27 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.709 2.272 . . . . 0.0 112.329 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.467 ' CE1' ' HA ' ' A' ' 100' ' ' SER . 3.6 p90 -156.05 136.32 13.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.899 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.648 HG22 HG22 ' A' ' 97' ' ' VAL . 78.9 t -88.77 149.71 3.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.132 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.0 ttt180 -137.01 134.76 36.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.431 ' HE1' ' CD1' ' A' ' 79' ' ' PHE . 66.2 mtm -119.43 137.96 53.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.863 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -148.5 113.65 5.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.43 HD21 HH11 ' A' ' 91' ' ' ARG . 22.1 tp -71.49 88.76 0.92 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.958 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.613 HD21 ' HE2' ' A' ' 56' ' ' LYS . 88.2 mt -62.64 152.06 82.35 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.611 0.719 . . . . 0.0 110.903 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.6 Cg_endo -69.75 -41.54 0.89 Allowed 'Cis proline' 0 C--N 1.341 0.161 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.336 -0.135 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -45.42 98.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.613 ' HE2' HD21 ' A' ' 53' ' ' LEU . 8.7 ptpt -128.28 19.56 6.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.884 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -72.12 -177.22 2.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 59' ' ' SER . 27.0 mtm180 -62.39 -47.9 82.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 58' ' ' ARG . 12.9 t -34.97 -55.35 0.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -98.29 45.61 1.64 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.47 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.8 ttp180 -81.62 113.29 19.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.801 0.334 . . . . 0.0 110.857 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.522 ' HG3' ' CD2' ' A' ' 79' ' ' PHE . 8.2 tpp180 -135.48 111.83 9.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.6 pttp -148.97 168.11 23.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 38.4 p -96.91 158.38 15.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -56.15 158.37 4.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.1 p -105.47 119.32 54.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.122 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.5 t -90.67 151.3 21.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.827 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -117.54 159.35 23.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? 48.48 50.81 16.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.498 ' O ' HG23 ' A' ' 70' ' ' THR . 9.4 t -165.98 117.89 1.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.127 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.652 HD21 ' HB2' ' A' ' 38' ' ' ALA . 69.4 mt -74.51 -38.03 62.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -106.43 87.19 2.51 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.598 0.713 . . . . 0.0 110.903 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 156.31 63.75 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.687 2.258 . . . . 0.0 112.308 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 89.0 t -136.49 125.78 37.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.138 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -120.5 -53.48 2.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 59.7 39.96 20.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -113.87 156.3 24.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.965 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.461 ' HB2' HG22 ' A' ' 29' ' ' VAL . 40.1 t -126.75 137.93 53.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.522 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 7.1 m-85 -115.16 167.24 11.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.842 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -145.16 149.13 34.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.844 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -143.11 129.88 20.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 54.9 p -73.04 91.61 1.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.5 p -143.49 132.93 20.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.121 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.486 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 1.0 OUTLIER -76.4 148.3 37.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 -179.843 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.84 HD13 ' C ' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -52.15 -44.68 93.23 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.602 0.715 . . . . 0.0 110.91 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.733 ' N ' HD13 ' A' ' 85' ' ' LEU . 65.5 Cg_exo -47.98 -42.07 32.25 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.723 2.282 . . . . 0.0 112.303 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 89' ' ' GLN . 0.7 OUTLIER -82.41 -62.26 1.67 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.404 HG12 ' O ' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -38.48 -26.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.814 ' NE2' HD11 ' A' ' 85' ' ' LEU . 60.6 mt-30 -58.21 -56.26 24.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.2 ptt180 -76.75 -4.2 42.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.43 HH11 HD21 ' A' ' 52' ' ' LEU . 32.0 mtt180 -91.77 169.38 10.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 76.7 m -142.01 142.49 32.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.119 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.4 tp -86.09 101.88 13.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -70.9 100.82 2.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.4 HG11 HD11 ' A' ' 15' ' ' LEU . 29.7 t -111.75 100.0 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -120.74 116.53 25.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.648 HG22 HG22 ' A' ' 48' ' ' VAL . 45.4 t -103.23 106.68 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.446 ' HA ' HD12 ' A' ' 111' ' ' LEU . 0.0 OUTLIER -144.08 -179.5 6.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -77.07 141.54 40.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.467 ' HA ' ' CE1' ' A' ' 47' ' ' TYR . 2.2 t -61.5 105.9 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.861 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -172.03 -141.89 3.55 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.495 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 75.91 103.25 0.12 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.478 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -104.36 -49.79 3.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.887 0.375 . . . . 0.0 110.873 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.75 -59.79 2.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.95 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.0 m -87.18 -174.29 4.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.833 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -77.93 -18.34 56.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.908 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -167.84 122.03 0.96 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 7.0 mmtm -102.49 6.39 40.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -156.99 53.84 0.4 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.492 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.455 ' CD2' ' HB2' ' A' ' 136' ' ' ASP . 18.6 tp -62.75 113.63 3.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.849 0.357 . . . . 0.0 110.952 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 98' ' ' LYS . 22.1 mt -85.7 -33.46 21.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.422 ' C ' HD22 ' A' ' 133' ' ' LEU . . . 176.08 136.57 2.38 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.516 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.21 152.53 49.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.816 0.341 . . . . 0.0 110.944 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' ' 114' ' ' VAL . 11.8 p -152.29 125.37 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.106 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.415 ' N ' ' CD2' ' A' ' 115' ' ' LEU . 1.3 mm? -94.35 152.23 18.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.513 HG11 HD12 ' A' ' 17' ' ' ILE . 86.1 t -131.83 117.43 34.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -74.5 110.28 8.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.103 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 8.5 mt -86.34 28.76 0.81 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.922 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -93.48 27.78 2.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.077 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.5 t -97.62 -176.73 3.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -118.34 -11.56 10.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.558 ' HG3' ' CZ3' ' A' ' 127' ' ' TRP . 10.5 pt-20 -85.87 26.56 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 124' ' ' ALA . 15.5 mt -84.47 -53.23 5.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 123' ' ' LEU . . . -36.55 -41.69 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.085 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.1 -48.27 10.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 101.5 153.23 25.76 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.53 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . 0.558 ' CZ3' ' HG3' ' A' ' 122' ' ' GLU . 19.1 p90 -145.47 165.42 28.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.861 0.363 . . . . 0.0 110.933 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 62.0 m -135.33 128.53 31.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -160.51 155.32 24.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' TRP . . . . . 0.524 ' CZ2' ' HB2' ' A' ' 14' ' ' GLN . 72.6 m95 -87.16 110.24 20.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -82.62 105.65 13.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -62.93 118.22 7.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.422 HD22 ' C ' ' A' ' 112' ' ' GLY . 62.4 mt -61.6 143.05 56.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 74.9 p -132.36 144.04 50.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.134 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.06 166.55 13.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . 0.455 ' HB2' ' CD2' ' A' ' 110' ' ' LEU . 33.1 t0 -78.94 82.92 5.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 35.5 p -55.66 -47.06 77.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 109.1 144.68 10.81 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.424 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -22.1 32.61 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.698 2.265 . . . . 0.0 112.317 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 9.6 t -134.64 147.14 50.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.851 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 32.4 t -90.69 122.62 33.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.462 179.96 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.0 t -133.57 105.89 7.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.838 0.351 . . . . 0.0 110.881 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.4 m -95.91 84.24 3.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.66 -138.1 6.8 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.522 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.1 p -60.38 92.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.902 0.382 . . . . 0.0 110.898 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.3 p -117.69 144.19 45.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.82 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.31 -147.59 5.15 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.473 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.421 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . 1.2 t -167.89 105.0 0.57 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.701 0.762 . . . . 0.0 110.917 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 8' ' ' SER . 53.4 Cg_endo -69.75 -22.22 32.41 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.694 2.262 . . . . 0.0 112.277 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.485 HD22 ' O ' ' A' ' 111' ' ' LEU . 57.2 mt -85.86 -48.63 8.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.96 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 153.35 -166.92 31.8 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.553 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -147.62 174.31 11.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.767 0.318 . . . . 0.0 110.941 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.4 tt -163.95 132.77 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.49 ' HB2' ' CE2' ' A' ' 130' ' ' TRP . 31.5 tt0 -99.55 115.37 29.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.583 ' CD1' HG11 ' A' ' 95' ' ' VAL . 3.1 mt -133.88 135.57 43.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 88.6 m -98.31 110.77 23.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.633 HD12 HG11 ' A' ' 116' ' ' VAL . 21.2 mt -101.53 123.06 54.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.32 137.86 15.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.845 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.423 ' CE1' ' HA ' ' A' ' 24' ' ' ASN . 5.3 t-80 -125.77 114.19 18.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 24' ' ' ASN . 9.1 t -77.9 126.25 30.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 93.6 p -67.35 -39.7 85.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.843 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 -68.96 -47.43 65.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.449 ' O ' ' CG ' ' A' ' 24' ' ' ASN . 5.4 mmt180 -83.39 -16.25 46.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.48 ' N ' ' O ' ' A' ' 20' ' ' SER . 3.3 p30 46.25 52.91 10.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.937 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.2 mttt -135.48 148.55 49.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.631 HD21 HD13 ' A' ' 93' ' ' LEU . 13.8 tp -102.67 111.05 23.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.925 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.9 mp -99.45 136.11 31.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 45.9 t -140.16 112.05 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.149 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.9 t -95.69 150.79 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.129 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.516 HG13 ' CD2' ' A' ' 15' ' ' LEU . 3.3 t -132.63 83.86 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -51.13 -74.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.442 ' HB2' HG13 ' A' ' 74' ' ' VAL . . . -173.33 158.39 3.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.103 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 58.6 m -105.74 166.15 10.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 33.9 ptt180 -152.95 164.61 37.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 51.66 54.13 11.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 82.8 mt -107.56 98.83 8.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.501 ' O ' HD12 ' A' ' 37' ' ' ILE . 2.5 pp -55.83 143.65 8.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -108.22 139.0 43.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -53.25 -25.85 15.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 41' ' ' GLU . 43.6 t -148.18 119.84 8.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 42' ' ' ASP . 48.8 tp10 -35.36 -46.24 0.36 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.901 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 41' ' ' GLU . 65.2 m-20 -34.46 -47.23 0.3 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 145.68 155.79 6.62 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.483 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.3 m -140.25 172.02 13.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.882 0.372 . . . . 0.0 110.858 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.407 ' HB3' HG12 ' A' ' 66' ' ' VAL . 0.8 OUTLIER -116.97 83.26 14.45 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.611 0.719 . . . . 0.0 110.864 179.895 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 141.48 45.14 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.667 2.245 . . . . 0.0 112.331 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.501 ' CB ' HG22 ' A' ' 66' ' ' VAL . 4.5 p90 -152.11 140.26 20.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.663 HG22 HG22 ' A' ' 97' ' ' VAL . 72.2 t -90.1 150.56 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.151 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -132.36 148.05 52.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 58.2 mtm -137.37 120.93 17.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -136.66 111.98 9.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 49.0 tp -67.44 93.9 0.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.538 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 48.3 mt -70.22 154.31 94.63 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.605 0.716 . . . . 0.0 110.94 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.9 Cg_endo -69.74 -45.23 0.43 Allowed 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.752 -1.77 . . . . 0.0 112.335 -0.088 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -42.74 91.02 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 54' ' ' PRO . 20.9 pttt -121.33 20.8 11.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 50.2 mtt-85 -47.78 165.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.5 ptt180 -90.62 33.65 0.91 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 51.7 m -101.88 -61.34 1.4 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -93.9 37.54 3.38 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.499 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 26.1 ttp180 -56.57 136.14 54.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.788 0.327 . . . . 0.0 110.904 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.5 tpp180 -137.0 108.93 7.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -141.28 170.93 14.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 45.1 p -98.28 168.03 10.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -54.13 163.06 0.86 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.576 HG11 ' HB3' ' A' ' 100' ' ' SER . 91.7 t -105.66 102.74 14.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.2 m -71.49 141.6 50.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 52.9 mttt -121.52 159.87 25.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp 51.01 52.11 15.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.6 t -173.32 141.47 0.92 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.16 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 26.3 mt -97.79 -13.17 21.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -124.76 83.04 59.51 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.631 0.729 . . . . 0.0 110.868 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 147.67 63.11 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.627 2.218 . . . . 0.0 112.35 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.442 HG13 ' HB2' ' A' ' 32' ' ' ALA . 45.9 t -132.47 114.6 23.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -107.87 -46.64 3.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.6 t70 55.65 29.94 14.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -103.71 151.75 22.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 38.6 t -124.07 138.96 54.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.439 ' CD1' ' N ' ' A' ' 79' ' ' PHE . 3.6 m-85 -117.2 171.53 7.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -149.9 149.05 29.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -140.54 124.69 17.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 70.9 p -71.82 92.33 1.22 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.856 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.4 p -143.38 134.53 22.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.17 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.483 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 1.0 OUTLIER -74.13 148.68 41.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 -179.838 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.616 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 3.0 tp -53.77 -44.11 97.43 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.616 0.722 . . . . 0.0 110.912 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 65.4 Cg_exo -48.07 -35.19 25.23 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.66 2.24 . . . . 0.0 112.366 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -88.92 -58.04 2.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.597 HG22 HD12 ' A' ' 118' ' ' LEU . 1.3 p -45.99 -30.43 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.423 ' OE1' ' HA ' ' A' ' 86' ' ' PRO . 73.0 mt-30 -59.32 -60.68 3.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 -69.72 -3.35 14.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 88.6 mtt-85 -97.11 -179.23 4.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 77.7 m -150.34 136.61 18.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.13 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.631 HD13 HD21 ' A' ' 26' ' ' LEU . 4.4 tp -84.47 104.96 14.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.857 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.403 ' HB2' ' CD1' ' A' ' 53' ' ' LEU . 12.3 t0 -75.34 97.02 3.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.583 HG11 ' CD1' ' A' ' 15' ' ' LEU . 17.3 t -106.67 102.73 14.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.137 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -128.71 133.24 48.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.096 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.663 HG22 HG22 ' A' ' 48' ' ' VAL . 78.9 t -104.75 101.55 12.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.116 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -106.45 -177.37 3.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.539 ' CB ' HD11 ' A' ' 111' ' ' LEU . 2.1 t30 -121.1 117.04 26.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.576 ' HB3' HG11 ' A' ' 66' ' ' VAL . 48.4 t -68.77 134.41 49.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.83 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -88.14 128.15 8.92 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.437 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -49.7 -99.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -91.57 24.52 3.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.855 0.36 . . . . 0.0 110.902 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -103.05 176.99 4.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 106' ' ' LYS . 61.9 p -109.02 172.99 6.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 105' ' ' SER . 10.8 ptmt -34.66 146.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.905 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -151.96 134.24 15.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.814 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 13.0 mtpp -84.07 21.69 1.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -79.48 63.24 3.99 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.51 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.1 tp -60.36 147.25 41.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.855 0.359 . . . . 0.0 110.927 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.539 HD11 ' CB ' ' A' ' 99' ' ' ASN . 14.8 mt -108.16 -45.53 3.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.678 ' C ' HD22 ' A' ' 133' ' ' LEU . . . -166.38 144.57 9.24 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.504 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.65 ' N ' HD22 ' A' ' 133' ' ' LEU . 4.9 ptmm? -150.6 154.67 37.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.785 0.326 . . . . 0.0 110.931 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.49 HG11 ' HB3' ' A' ' 131' ' ' TYR . 11.3 p -157.06 124.61 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.122 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.656 HD22 ' N ' ' A' ' 115' ' ' LEU . 1.5 mm? -91.63 156.94 17.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.633 HG11 HD12 ' A' ' 17' ' ' ILE . 81.3 t -139.14 123.78 20.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -78.0 110.96 13.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.597 HD12 HG22 ' A' ' 88' ' ' VAL . 4.9 mt -84.23 20.09 1.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -87.44 23.44 1.9 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.088 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.2 m -97.51 147.76 23.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -85.96 -14.24 45.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -70.17 -5.77 29.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 11.5 mt -55.76 -36.73 67.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.945 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -47.68 -38.25 14.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.101 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -94.35 -59.86 1.86 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 113.32 148.14 10.08 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 26.8 p90 -136.85 157.29 47.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.814 0.34 . . . . 0.0 110.937 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 85.6 m -132.65 126.97 33.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.123 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.423 ' HG2' ' CE1' ' A' ' 131' ' ' TYR . 16.8 pt20 -158.92 158.92 34.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' TRP . . . . . 0.49 ' CE2' ' HB2' ' A' ' 14' ' ' GLN . 72.1 m95 -86.85 99.57 11.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.521 ' HD2' HD12 ' A' ' 15' ' ' LEU . 21.1 m-85 -67.45 102.11 1.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.46 ' N ' ' OD1' ' A' ' 132' ' ' ASP . 0.2 OUTLIER -63.18 114.01 3.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 179.905 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.678 HD22 ' C ' ' A' ' 112' ' ' GLY . 77.2 mt -61.89 143.08 56.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 77.1 p -127.05 173.28 9.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -79.02 161.78 26.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 10.4 p30 -82.66 84.73 7.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 55.3 m -50.25 -51.9 40.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 137.53 86.98 0.18 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.511 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -24.95 28.91 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.686 2.258 . . . . 0.0 112.308 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 7.6 t -134.23 117.17 16.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.912 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 4.7 t -66.43 152.7 44.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.817 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.507 179.982 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.446 -0.261 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 p -126.1 24.35 6.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 0.0 110.827 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.1 m -153.22 122.54 6.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.15 141.56 3.37 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.472 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m 49.3 38.53 13.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.869 0.366 . . . . 0.0 110.892 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 t -88.7 155.29 19.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.86 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.53 58.83 0.24 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.484 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.8 t -124.05 117.82 26.96 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.661 0.743 . . . . 0.0 110.886 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -26.88 26.98 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.652 2.235 . . . . 0.0 112.353 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.702 HD11 ' HG3' ' A' ' 135' ' ' GLU . 89.6 mt -80.09 -51.88 8.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 152.3 -173.92 31.33 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.485 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -141.92 178.58 7.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.811 0.339 . . . . 0.0 110.895 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.6 tt -166.77 134.25 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.568 ' HB2' ' CZ2' ' A' ' 130' ' ' TRP . 22.2 tt0 -99.47 114.69 27.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.775 HD11 HG11 ' A' ' 95' ' ' VAL . 40.5 mt -131.16 127.84 38.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.0 m -97.12 102.86 14.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.488 ' CD1' HG11 ' A' ' 116' ' ' VAL . 80.5 mt -96.55 125.11 49.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.13 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -155.66 116.05 3.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 -97.62 106.29 18.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 24' ' ' ASN . 2.3 m -69.06 125.58 27.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 71.7 p -66.85 -55.05 16.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -55.47 -43.81 75.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.459 ' O ' ' CG ' ' A' ' 24' ' ' ASN . 32.8 mmt180 -84.96 -17.72 36.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 20' ' ' SER . 5.3 p-10 46.67 43.89 13.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.8 mttt -126.33 156.73 39.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.664 HD13 HG21 ' A' ' 88' ' ' VAL . 19.6 tp -101.34 102.67 13.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.921 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.422 HD12 ' N ' ' A' ' 27' ' ' ILE . 4.8 mp -92.53 130.09 42.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.42 HG11 ' SD ' ' A' ' 50' ' ' MET . 40.6 t -136.73 106.15 4.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.9 t -94.04 138.16 21.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 19.2 t -117.26 96.61 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.519 ' O ' HG23 ' A' ' 74' ' ' VAL . 93.4 m-70 -63.08 -74.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.565 ' HB1' ' O ' ' A' ' 73' ' ' PRO . . . -172.03 162.16 5.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.083 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 32.7 m -106.4 167.96 9.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 23.6 ptt180 -155.59 148.0 23.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 60.73 53.39 3.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.464 ' O ' ' C ' ' A' ' 37' ' ' ILE . 55.5 mt -99.41 88.02 3.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.63 HD11 HD22 ' A' ' 111' ' ' LEU . 2.7 pp -32.67 141.86 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 39' ' ' PHE . . . -114.78 113.64 24.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.08 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' A' ' 38' ' ' ALA . 3.4 t80 -38.27 -36.02 0.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 41.1 t -139.21 122.16 16.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -42.4 -28.73 0.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -52.86 -43.12 65.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 146.34 131.09 2.2 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.534 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.1 m -110.14 175.12 5.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.902 0.382 . . . . 0.0 110.849 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -114.4 78.33 4.69 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.572 0.701 . . . . 0.0 110.885 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.422 ' O ' HG23 ' A' ' 66' ' ' VAL . 53.9 Cg_endo -69.73 134.16 27.37 Favored 'Trans proline' 0 C--O 1.23 0.123 0 C-N-CA 122.679 2.253 . . . . 0.0 112.367 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.419 ' CB ' ' HB ' ' A' ' 66' ' ' VAL . 2.2 p90 -160.89 136.36 7.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.56 HG22 HG22 ' A' ' 97' ' ' VAL . 29.9 t -87.96 159.56 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.161 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.507 ' N ' HG12 ' A' ' 48' ' ' VAL . 11.4 ttm180 -145.16 130.11 18.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.42 ' SD ' HG11 ' A' ' 28' ' ' VAL . 64.2 mtm -113.89 142.48 46.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.534 ' CZ ' ' HG3' ' A' ' 61' ' ' ARG . 9.4 m-85 -151.18 127.61 10.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 52' ' ' LEU . 13.2 tp -84.02 89.11 7.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.528 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 4.1 mm? -66.92 156.05 88.42 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.602 0.715 . . . . 0.0 110.947 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.5 Cg_endo -69.8 -47.56 0.31 Allowed 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.674 -1.802 . . . . 0.0 112.322 -0.099 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 54' ' ' PRO . 6.7 m-20 -36.69 121.61 0.76 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.83 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.4 mtpp -118.59 29.05 7.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.921 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 16.1 mmp_? -45.92 136.39 6.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.406 ' C ' ' HD2' ' A' ' 58' ' ' ARG . 6.5 ppt_? -93.2 -18.73 22.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.8 p -70.51 -18.28 62.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -127.59 23.4 5.39 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.501 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.534 ' HG3' ' CZ ' ' A' ' 51' ' ' TYR . 0.8 OUTLIER -71.67 150.84 44.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.842 0.354 . . . . 0.0 110.844 -179.848 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -137.62 109.77 7.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.1 pttp -126.94 171.26 11.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 67.1 p -97.33 163.98 12.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.413 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 80.9 m-70 -62.08 158.35 16.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 46' ' ' PRO . 2.3 p -111.28 116.4 52.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.075 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.1 m -98.43 115.46 28.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -85.77 157.33 20.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 42.7 mmtt 61.24 54.89 3.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.0 t -175.07 144.15 0.73 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.2 mp -104.55 -23.07 13.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.931 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -118.13 67.65 6.6 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.647 0.737 . . . . 0.0 110.936 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.565 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 54.1 Cg_endo -69.76 164.99 32.47 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.663 2.242 . . . . 0.0 112.34 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.538 HG23 ' HB2' ' A' ' 32' ' ' ALA . 4.8 p -149.25 136.12 12.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.413 ' CE1' ' O ' ' A' ' 65' ' ' HIS . 1.9 m-85 -123.58 -34.37 3.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.4 t70 50.39 38.17 17.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -105.6 148.91 26.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 27.5 t -124.53 133.69 53.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.443 ' CD1' ' N ' ' A' ' 79' ' ' PHE . 3.6 m-85 -115.85 169.34 9.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -153.57 148.01 26.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -139.31 131.68 28.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 51.5 p -73.44 92.37 1.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 6.7 p -143.44 135.02 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.123 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.479 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 0.9 OUTLIER -75.36 149.66 38.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 -179.804 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.605 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 4.6 tp -52.81 -44.72 96.74 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.631 0.729 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 64.1 Cg_exo -47.96 -41.0 33.31 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.705 2.27 . . . . 0.0 112.323 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -82.37 -57.82 3.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.664 HG21 HD13 ' A' ' 26' ' ' LEU . 0.9 OUTLIER -48.86 -30.15 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.117 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.408 ' OE1' ' HA ' ' A' ' 86' ' ' PRO . 59.6 mt-30 -55.98 -55.62 30.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 18.0 ptt180 -72.59 -22.81 60.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 49.0 mtt180 -74.9 173.31 10.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.404 HG23 ' O ' ' A' ' 116' ' ' VAL . 25.2 m -143.14 142.08 31.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.616 HD13 HD21 ' A' ' 26' ' ' LEU . 3.0 tp -87.65 101.31 13.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.923 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.48 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -75.62 97.6 3.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.824 179.879 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.775 HG11 HD11 ' A' ' 15' ' ' LEU . 16.4 t -107.65 100.95 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -121.96 131.79 54.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.079 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.56 HG22 HG22 ' A' ' 48' ' ' VAL . 86.3 t -113.96 101.52 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 8.0 pttp -130.67 -177.81 4.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -86.13 124.92 33.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.6 t -49.56 -38.33 30.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 167.8 -162.44 36.22 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.473 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -178.27 -59.42 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.442 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.454 ' CG ' ' N ' ' A' ' 104' ' ' LEU . 47.8 t80 -77.03 168.53 19.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.86 0.362 . . . . 0.0 110.895 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.454 ' N ' ' CG ' ' A' ' 103' ' ' PHE . 81.7 mt -49.86 -57.44 7.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 65.8 m -79.4 163.82 24.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 25.6 mmmt -62.43 172.17 1.65 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -156.6 150.8 25.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 20.6 mmtp -108.08 16.83 23.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -52.78 91.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.448 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 11.1 tp -86.44 121.43 28.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 0.0 110.938 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.63 HD22 HD11 ' A' ' 37' ' ' ILE . 24.7 mt -83.57 -56.06 3.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -160.5 154.28 25.28 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.473 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -155.95 159.38 39.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.834 0.35 . . . . 0.0 110.839 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.557 HG11 ' HB3' ' A' ' 131' ' ' TYR . 11.1 p -150.66 137.85 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -101.2 148.19 25.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.488 HG11 ' CD1' ' A' ' 17' ' ' ILE . 53.3 t -133.09 123.28 47.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -80.91 111.36 17.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 25.1 mt -84.73 20.05 1.88 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -89.64 22.96 2.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.084 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 30.5 t -101.48 147.79 25.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -80.6 -31.75 36.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.865 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -46.07 -22.61 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 18.0 mt -45.08 -45.6 11.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -40.66 -34.95 0.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -103.03 -46.82 4.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 102.43 157.77 25.88 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.48 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 29.0 p90 -146.02 154.66 42.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.846 0.355 . . . . 0.0 110.932 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 87.6 m -125.22 128.51 48.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.127 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -161.95 155.9 21.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' TRP . . . . . 0.568 ' CZ2' ' HB2' ' A' ' 14' ' ' GLN . 86.8 m95 -88.88 107.09 18.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.952 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.557 ' HB3' HG11 ' A' ' 114' ' ' VAL . 28.5 m-85 -76.96 105.11 7.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.909 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.421 ' O ' ' CG ' ' A' ' 132' ' ' ASP . 0.8 OUTLIER -62.99 116.26 5.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.872 179.888 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.409 ' CD1' ' HB ' ' A' ' 97' ' ' VAL . 87.9 mt -65.39 124.55 22.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.688 ' HA ' HD12 ' A' ' 10' ' ' LEU . 73.3 p -115.74 165.0 13.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.702 ' HG3' HD11 ' A' ' 10' ' ' LEU . 43.9 mt-10 -70.59 155.57 40.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -48.75 118.2 2.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 3.1 t -100.28 43.67 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -108.86 166.62 12.78 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.432 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -36.2 11.21 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.626 2.217 . . . . 0.0 112.373 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 24.3 m -143.75 150.54 38.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 62.4 m -89.64 177.01 6.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.505 180.0 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 m -152.54 151.31 30.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.893 0.378 . . . . 0.0 110.835 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.9 m -58.48 116.56 3.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.847 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.35 133.96 12.29 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.513 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 t -100.51 -51.8 3.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.903 0.382 . . . . 0.0 110.866 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 t -111.26 154.28 24.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.842 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.08 146.29 7.3 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.439 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 79.1 p -133.12 81.69 56.13 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.664 0.745 . . . . 0.0 110.871 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -25.41 28.47 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.698 2.265 . . . . 0.0 112.34 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.482 HD22 ' O ' ' A' ' 111' ' ' LEU . 89.9 mt -92.71 -42.88 9.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 155.11 -179.54 31.05 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.473 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -140.48 158.62 43.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.759 0.314 . . . . 0.0 110.93 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.0 tt -150.59 138.62 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.077 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.483 ' HB2' ' CE2' ' A' ' 130' ' ' TRP . 38.3 tt0 -107.96 112.05 24.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.914 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.664 HD11 HG11 ' A' ' 95' ' ' VAL . 21.9 mt -127.79 136.1 51.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.977 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 90.6 m -102.4 109.48 21.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.17 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.51 ' CD1' HG11 ' A' ' 116' ' ' VAL . 4.9 mt -98.75 126.51 51.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -155.13 112.63 3.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.516 ' CE1' ' HB2' ' A' ' 85' ' ' LEU . 27.1 t-80 -103.39 102.42 12.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.0 t -70.05 143.36 52.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.829 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 76.6 p -85.84 -45.58 11.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.846 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.422 ' CD ' ' H ' ' A' ' 22' ' ' GLN . 2.0 pm0 -60.06 -21.26 61.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -112.01 -26.16 9.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.2 m120 59.0 42.9 18.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.5 mttt -123.57 164.36 19.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.497 HD21 HD13 ' A' ' 93' ' ' LEU . 16.8 tp -115.84 102.11 9.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.949 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.445 HD12 ' N ' ' A' ' 27' ' ' ILE . 4.3 mp -91.23 131.94 37.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.4 t -136.51 106.12 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.2 t -90.29 140.24 16.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.434 HG22 ' CD2' ' A' ' 15' ' ' LEU . 35.8 t -119.57 92.8 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.17 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -58.27 -74.94 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -175.03 157.92 2.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.063 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 57.6 m -107.47 169.14 8.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 23.5 ptt180 -162.39 174.67 12.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 48.64 50.32 17.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 74.0 mt -100.47 86.94 3.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.49 ' O ' HD12 ' A' ' 37' ' ' ILE . 1.8 pp -40.55 135.12 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.783 ' HB3' ' HA ' ' A' ' 41' ' ' GLU . . . -92.02 142.88 27.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.106 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -51.81 -41.73 61.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.8 t -128.91 21.66 5.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.783 ' HA ' ' HB3' ' A' ' 38' ' ' ALA . 23.4 mt-10 46.47 29.87 0.97 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -113.54 -37.43 4.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 153.51 108.27 0.34 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.491 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.8 m -111.4 172.67 6.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.868 0.366 . . . . 0.0 110.851 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.19 76.89 0.65 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.605 0.717 . . . . 0.0 110.86 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 136.85 34.13 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.669 2.246 . . . . 0.0 112.361 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.487 ' HB3' HG23 ' A' ' 66' ' ' VAL . 3.8 p90 -156.81 145.98 20.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.639 HG22 HG22 ' A' ' 97' ' ' VAL . 94.6 t -92.27 149.83 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.09 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.58 133.07 34.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.834 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 75.9 mtm -121.02 144.62 48.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -155.16 122.47 5.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.464 ' HG ' ' CZ ' ' A' ' 91' ' ' ARG . 8.4 tp -75.67 85.74 2.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.875 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.542 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 51.4 mt -64.92 150.99 94.19 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.63 0.729 . . . . 0.0 110.907 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 54.1 Cg_endo -69.74 -36.77 2.21 Favored 'Cis proline' 0 C--O 1.231 0.151 0 C-N-CA 122.727 -1.781 . . . . 0.0 112.393 -0.132 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 54' ' ' PRO . 10.6 t70 -33.3 119.6 0.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.1 mmtt -120.52 1.79 10.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 58.0 mtt180 -39.19 123.8 1.42 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.63 -12.82 61.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.1 t -62.76 -47.81 81.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -96.59 34.42 5.02 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.486 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.9 ttp-105 -72.66 137.0 45.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.794 0.33 . . . . 0.0 110.887 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.494 ' HG3' ' CE2' ' A' ' 81' ' ' PHE . 18.3 mmm180 -137.73 108.76 6.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.4 pttt -141.39 169.32 17.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 22.2 p -99.18 154.88 17.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.149 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 21.4 p-80 -54.24 152.89 5.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.828 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.487 HG23 ' HB3' ' A' ' 47' ' ' TYR . 4.0 p -102.62 122.35 54.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.095 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.0 m -90.06 152.79 20.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 17.2 mtpt -117.34 144.96 44.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.1 mptt 61.91 50.29 4.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.4 t -162.79 137.31 6.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.174 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.6 mp -93.96 -29.55 15.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.953 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -112.98 79.16 3.3 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.609 0.718 . . . . 0.0 110.907 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.402 ' HB2' ' CZ ' ' A' ' 75' ' ' PHE . 53.5 Cg_endo -69.78 144.38 53.77 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.658 2.238 . . . . 0.0 112.376 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 91.8 t -117.46 139.73 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.147 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.402 ' CZ ' ' HB2' ' A' ' 73' ' ' PRO . 3.0 m-85 -133.02 -52.2 0.9 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.6 t70 54.68 32.33 17.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -103.03 151.2 22.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 31.3 t -121.74 134.01 54.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.438 ' CD2' ' HB3' ' A' ' 62' ' ' ARG . 32.7 m-85 -115.1 169.79 8.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -153.19 148.45 26.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.854 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.494 ' CE2' ' HG3' ' A' ' 62' ' ' ARG . 12.3 m-85 -139.19 125.04 19.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 36.1 p -72.93 89.66 1.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.855 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.8 p -143.64 135.3 23.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.14 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.449 ' C ' ' HD2' ' A' ' 86' ' ' PRO . 0.9 OUTLIER -73.77 144.03 45.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.834 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.597 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 4.0 tp -51.95 -44.69 92.22 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.595 0.712 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 66.3 Cg_exo -48.01 -33.64 21.06 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.706 2.271 . . . . 0.0 112.314 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -88.55 -59.02 2.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.635 HG22 HD12 ' A' ' 118' ' ' LEU . 1.8 p -48.78 -33.83 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.656 ' O ' ' HB2' ' A' ' 119' ' ' ALA . 14.2 mt-30 -53.03 -43.8 66.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.941 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 10.9 ptt180 -90.17 13.52 14.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.464 ' CZ ' ' HG ' ' A' ' 52' ' ' LEU . 45.2 mtp180 -115.27 179.43 3.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.476 HG23 ' O ' ' A' ' 116' ' ' VAL . 21.2 m -144.49 145.73 32.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.153 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.497 HD13 HD21 ' A' ' 26' ' ' LEU . 3.7 tp -93.2 105.05 17.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.41 ' OD2' HD11 ' A' ' 53' ' ' LEU . 5.6 t70 -70.74 100.04 1.81 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.879 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.664 HG11 HD11 ' A' ' 15' ' ' LEU . 18.6 t -115.71 102.8 14.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.107 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.586 ' HB1' ' CE ' ' A' ' 98' ' ' LYS . . . -125.64 129.83 50.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.121 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.639 HG22 HG22 ' A' ' 48' ' ' VAL . 96.1 t -108.48 103.08 14.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.158 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.586 ' CE ' ' HB1' ' A' ' 96' ' ' ALA . 3.0 ptpt -135.52 177.98 7.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -80.09 131.13 35.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.929 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 101' ' ' GLY . 14.6 t -56.14 -60.68 3.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 102' ' ' GLY . . . 37.37 -107.89 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.48 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 101' ' ' GLY . . . -37.01 108.28 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.519 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -87.49 -23.87 24.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.927 0.394 . . . . 0.0 110.905 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.425 HD13 ' HA ' ' A' ' 104' ' ' LEU . 4.0 mm? -103.2 25.31 9.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 45.9 m -145.05 -175.0 4.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -95.74 -30.14 13.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.907 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -175.07 147.15 0.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -116.06 -29.78 6.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -151.56 115.33 0.69 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.508 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 7.2 tp -79.93 115.01 19.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.87 0.367 . . . . 0.0 110.902 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.482 ' O ' HD22 ' A' ' 10' ' ' LEU . 46.9 mt -87.63 -38.07 16.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.916 ' O ' HD22 ' A' ' 133' ' ' LEU . . . 177.83 123.65 0.81 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.435 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -127.85 163.3 24.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.836 0.351 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 12.6 p -157.26 131.34 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.156 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.474 ' HA ' HD13 ' A' ' 115' ' ' LEU . 2.6 mm? -100.61 138.13 38.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.95 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.51 HG11 ' CD1' ' A' ' 17' ' ' ILE . 85.7 t -120.26 129.58 75.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.175 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -85.59 114.07 22.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.635 HD12 HG22 ' A' ' 88' ' ' VAL . 6.8 mt -89.93 24.5 2.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.656 ' HB2' ' O ' ' A' ' 89' ' ' GLN . . . -90.85 15.79 10.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.07 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.1 m -97.46 158.79 15.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 123' ' ' LEU . 0.6 OUTLIER -85.47 -33.65 21.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.915 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -38.67 -28.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 121' ' ' GLU . 25.6 mt -45.12 -48.53 12.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.927 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 123' ' ' LEU . . . -35.83 -34.98 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 123' ' ' LEU . 45.3 mttp -105.93 -39.05 6.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 93.46 153.35 30.18 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.483 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 30.7 p90 -147.09 166.53 26.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.856 0.36 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 41.4 m -140.78 133.58 28.96 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.165 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.493 ' CG ' ' CE1' ' A' ' 131' ' ' TYR . 12.1 pt20 -161.53 159.36 27.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' TRP . . . . . 0.483 ' CE2' ' HB2' ' A' ' 14' ' ' GLN . 75.1 m95 -85.91 101.27 12.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.493 ' CE1' ' CG ' ' A' ' 129' ' ' GLN . 30.1 m-85 -76.28 104.04 6.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -65.65 117.77 8.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.824 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.916 HD22 ' O ' ' A' ' 112' ' ' GLY . 11.9 mt -63.53 144.08 57.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 71.9 p -130.8 173.6 10.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.154 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -75.42 156.93 34.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -58.88 -59.51 5.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.8 m -116.06 150.91 36.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -132.64 -93.01 0.54 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.466 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 116.92 4.78 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.719 2.279 . . . . 0.0 112.345 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 3.7 m -99.2 101.76 13.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 5.1 t -121.89 -53.4 1.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.501 -179.97 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -64.97 155.67 33.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.809 0.338 . . . . 0.0 110.909 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.1 t 63.88 42.07 6.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.79 142.47 16.82 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.528 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.9 t -126.75 97.98 5.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.904 0.383 . . . . 0.0 110.836 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -84.77 78.31 9.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.872 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.05 98.37 0.14 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.461 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.417 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . 77.3 p -126.62 108.89 22.99 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.671 0.748 . . . . 0.0 110.835 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 8' ' ' SER . 53.4 Cg_endo -69.82 -19.79 35.41 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.64 2.227 . . . . 0.0 112.355 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.751 HD22 ' O ' ' A' ' 111' ' ' LEU . 62.1 mt -91.47 -43.12 9.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 143.09 -168.46 26.06 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -147.25 164.63 32.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.821 0.343 . . . . 0.0 110.881 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.507 HD11 HD21 ' A' ' 15' ' ' LEU . 13.0 tt -152.65 135.17 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.525 ' HB2' ' CE2' ' A' ' 130' ' ' TRP . 10.0 tt0 -100.64 122.26 43.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.801 HD22 HG22 ' A' ' 30' ' ' VAL . 54.8 mt -135.17 123.75 23.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.4 m -89.05 98.0 11.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.136 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.45 ' CD1' HG11 ' A' ' 116' ' ' VAL . 11.9 mt -96.57 110.91 25.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.145 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.0 ttt180 -142.57 110.73 6.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.523 ' CE1' ' HA ' ' A' ' 24' ' ' ASN . 6.0 t-80 -98.01 119.37 36.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.478 ' O ' ' CE1' ' A' ' 19' ' ' HIS . 4.7 t -75.09 145.32 42.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 37.1 p -79.36 -55.18 5.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -60.61 -41.41 94.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.0 mtt-85 -84.13 -19.32 34.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.523 ' HA ' ' CE1' ' A' ' 19' ' ' HIS . 10.2 m120 45.11 48.8 9.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.7 mttt -128.83 147.68 50.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.714 HD13 HG21 ' A' ' 88' ' ' VAL . 12.9 tp -103.98 109.9 21.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.445 HD12 ' N ' ' A' ' 27' ' ' ILE . 4.9 mp -103.06 139.59 23.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.1 t -135.95 113.08 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.173 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.4 t -100.66 130.23 50.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.801 HG22 HD22 ' A' ' 15' ' ' LEU . 26.4 t -110.86 96.68 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -61.58 -72.76 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.513 ' HB1' ' O ' ' A' ' 73' ' ' PRO . . . -171.01 154.39 4.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.145 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.46 ' SG ' HD12 ' A' ' 13' ' ' ILE . 46.9 m -107.71 152.03 24.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.7 ptt180 -141.5 164.18 30.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 61.9 47.89 5.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.51 HD12 ' O ' ' A' ' 71' ' ' LEU . 97.6 mt -106.33 99.28 8.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.604 ' O ' HD12 ' A' ' 37' ' ' ILE . 2.5 pp -61.37 135.1 26.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.137 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -94.8 129.52 41.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -45.95 -25.15 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.6 t -152.29 127.31 9.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -39.53 -41.68 1.04 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -38.29 -46.41 1.09 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 134.72 140.67 4.29 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.476 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.4 m -124.59 175.24 7.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.885 0.374 . . . . 0.0 110.84 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -115.76 86.46 15.98 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.63 0.729 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 139.96 41.39 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.675 2.25 . . . . 0.0 112.324 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.502 ' CB ' HG22 ' A' ' 66' ' ' VAL . 4.2 p90 -149.31 134.47 18.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 59.7 t -84.53 144.18 10.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.142 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.6 ttt180 -125.22 145.16 50.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 63.4 mtm -135.12 122.43 21.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.423 ' CE1' ' HB2' ' A' ' 61' ' ' ARG . 4.4 m-85 -135.05 122.5 21.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.8 tp -76.19 93.04 3.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.538 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 80.4 mt -71.21 154.49 93.82 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.6 0.714 . . . . 0.0 110.92 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 54.0 Cg_endo -69.72 -42.51 0.74 Allowed 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.351 -0.191 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 54' ' ' PRO . 19.5 m-20 -33.8 116.79 0.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 57' ' ' ARG . 24.2 mtmm -119.34 15.09 13.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 56' ' ' LYS . 17.5 mmm180 -34.0 117.84 0.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 84.3 mtm-85 -85.64 32.95 0.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.868 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 45.8 m -108.87 -42.38 4.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.825 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -110.51 29.57 8.95 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.499 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.423 ' HB2' ' CE1' ' A' ' 51' ' ' TYR . 21.1 ptt180 -47.98 150.49 1.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.786 0.327 . . . . 0.0 110.873 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -133.86 121.92 22.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -146.57 171.05 15.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.919 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 43.2 p -96.31 172.2 8.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.166 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -57.73 158.46 6.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.502 HG22 ' CB ' ' A' ' 47' ' ' TYR . 75.2 t -103.98 105.23 18.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.0 m -82.41 149.29 27.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 57.5 mttt -123.77 163.21 21.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.8 mptt 48.03 41.63 15.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.865 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.7 t -160.94 140.22 10.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.11 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.51 ' O ' HD12 ' A' ' 36' ' ' LEU . 45.6 mt -97.88 -33.33 11.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -108.13 80.18 1.04 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.599 0.714 . . . . 0.0 110.926 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.513 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 53.6 Cg_endo -69.78 162.67 41.17 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.7 2.267 . . . . 0.0 112.35 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.46 ' O ' HG13 ' A' ' 74' ' ' VAL . 3.6 p -150.74 109.09 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.083 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -106.74 -26.57 11.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.3 t0 43.92 31.85 0.55 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -86.93 159.64 18.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 26.9 t -130.98 118.46 20.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.789 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.411 ' O ' HG23 ' A' ' 27' ' ' ILE . 12.9 m-85 -101.51 167.25 10.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -146.83 155.69 42.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -149.95 123.5 9.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 36.9 p -69.47 88.6 0.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.42 ' O ' ' NE2' ' A' ' 19' ' ' HIS . 3.3 p -143.87 133.77 20.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.094 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.478 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 0.8 OUTLIER -73.83 147.1 43.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.909 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.613 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 8.1 tp -53.86 -43.76 97.0 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.572 0.701 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 65.9 Cg_exo -47.95 -32.39 17.77 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.745 2.297 . . . . 0.0 112.328 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -90.99 -61.01 1.76 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.714 HG21 HD13 ' A' ' 26' ' ' LEU . 0.9 OUTLIER -43.03 -34.2 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.115 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.816 ' O ' ' HB2' ' A' ' 119' ' ' ALA . 67.8 mt-30 -50.66 -56.12 13.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.2 mtt-85 -69.94 -33.53 72.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 87.8 mtt-85 -66.87 170.3 6.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 28.6 m -137.32 144.21 42.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.111 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.827 ' HB2' HD21 ' A' ' 118' ' ' LEU . 6.0 tp -88.18 110.03 20.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.939 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -83.08 98.99 9.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.705 HG11 HD11 ' A' ' 15' ' ' LEU . 9.8 t -112.48 111.22 35.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -133.39 123.27 25.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.063 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 43.8 t -101.59 105.08 17.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.102 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.1 pttt -128.98 176.7 7.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 34.1 p-10 -86.53 122.67 30.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 32.6 p -51.54 121.98 7.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.836 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 115.45 -169.66 12.99 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.466 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.55 53.19 1.35 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.447 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.444 ' O ' ' CD2' ' A' ' 103' ' ' PHE . 23.4 p90 -120.25 69.93 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.859 0.362 . . . . 0.0 110.87 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.405 HD22 ' N ' ' A' ' 104' ' ' LEU . 3.9 mm? -103.63 -59.13 1.77 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.461 ' O ' ' C ' ' A' ' 106' ' ' LYS . 2.2 m -154.79 105.64 2.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.838 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 105' ' ' SER . 15.4 ptmt 33.05 53.29 0.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.63 147.63 30.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.462 ' O ' ' C ' ' A' ' 109' ' ' GLY . 0.0 OUTLIER -117.09 -36.89 3.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.462 ' C ' ' O ' ' A' ' 108' ' ' LYS . . . 32.9 87.43 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.519 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.45 HD21 ' HG2' ' A' ' 113' ' ' LYS . 11.7 tp -118.05 116.6 27.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.825 0.345 . . . . 0.0 110.957 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.751 ' O ' HD22 ' A' ' 10' ' ' LEU . 60.8 mt -61.57 -50.1 73.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.667 ' O ' HD22 ' A' ' 133' ' ' LEU . . . -176.15 136.83 3.41 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.477 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.45 ' HG2' HD21 ' A' ' 110' ' ' LEU . 17.1 ptmt -128.95 150.1 50.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.771 0.32 . . . . 0.0 110.914 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.531 HG13 ' O ' ' A' ' 114' ' ' VAL . 13.6 p -141.83 119.16 7.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.158 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -84.11 149.25 26.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.592 HG21 ' CE2' ' A' ' 131' ' ' TYR . 50.4 t -131.96 107.42 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.59 101.23 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.827 HD21 ' HB2' ' A' ' 93' ' ' LEU . 53.7 mt -65.46 -7.91 16.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.816 ' HB2' ' O ' ' A' ' 89' ' ' GLN . . . -82.62 37.43 0.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.7 m -79.13 -4.38 50.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 48.36 25.5 0.91 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -133.75 3.27 3.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.639 HD11 ' O ' ' A' ' 118' ' ' LEU . 10.3 mt -57.41 -13.38 3.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -68.62 -23.55 64.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.064 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -102.63 -46.23 4.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 95.16 141.46 11.75 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.469 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 27.5 p90 -140.9 156.28 46.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.82 0.343 . . . . 0.0 110.937 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 90.6 m -131.27 112.47 12.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.158 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.509 ' CG ' ' CE1' ' A' ' 131' ' ' TYR . 8.1 pt20 -142.7 163.45 32.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' TRP . . . . . 0.525 ' CE2' ' HB2' ' A' ' 14' ' ' GLN . 41.0 m95 -93.47 98.86 11.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.592 ' CE2' HG21 ' A' ' 116' ' ' VAL . 19.3 m-85 -68.7 105.28 2.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.923 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -67.34 122.96 19.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.901 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.667 HD22 ' O ' ' A' ' 112' ' ' GLY . 60.6 mt -64.95 149.85 49.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 62.0 p -142.41 168.96 18.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -67.47 156.17 37.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 137' ' ' SER . 13.7 p-10 -79.02 -45.84 19.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 136' ' ' ASP . 25.6 t -34.43 122.85 0.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.821 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -163.8 86.01 0.1 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.485 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 152.67 69.29 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.649 2.233 . . . . 0.0 112.36 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 96.0 p 44.67 36.06 1.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.883 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 60.7 p -45.86 -46.56 15.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.861 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.483 179.985 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -91.61 51.11 1.81 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.827 0.346 . . . . 0.0 110.839 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.9 m -119.96 141.17 49.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.32 39.27 1.64 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -106.39 142.45 36.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.89 0.376 . . . . 0.0 110.862 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.0 t -120.84 43.25 2.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.849 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.08 178.66 36.95 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.484 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.444 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . 86.5 p -134.79 103.05 11.05 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.687 0.756 . . . . 0.0 110.886 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.444 ' HD2' ' HA ' ' A' ' 8' ' ' SER . 54.3 Cg_endo -69.68 -30.37 22.77 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.688 2.259 . . . . 0.0 112.367 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.86 HD22 ' O ' ' A' ' 111' ' ' LEU . 96.1 mt -77.96 -47.16 19.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.945 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 140.78 179.62 18.38 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.449 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -130.65 -176.96 4.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.757 0.313 . . . . 0.0 110.956 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.721 HD11 HD21 ' A' ' 15' ' ' LEU . 9.1 tt -168.32 146.03 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.166 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.413 ' HB2' ' CE2' ' A' ' 130' ' ' TRP . 29.0 tt0 -112.55 120.22 40.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.721 HD21 HD11 ' A' ' 13' ' ' ILE . 29.7 mt -132.56 123.68 26.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 94.4 m -91.13 106.56 18.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.785 ' CD1' HG11 ' A' ' 116' ' ' VAL . 14.4 mt -98.8 122.04 50.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.157 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 64.4 ttt-85 -150.04 108.22 3.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -97.89 111.32 23.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.835 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.8 t -73.68 120.63 19.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.861 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 78.3 p -71.07 -16.4 62.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.826 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -87.9 -40.23 14.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -89.52 -20.88 23.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.9 m120 61.72 37.5 15.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -124.4 163.21 22.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.1 tp -116.19 106.69 13.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.416 HD12 ' N ' ' A' ' 27' ' ' ILE . 4.2 mp -93.81 138.56 20.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.1 t -142.38 111.68 2.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.097 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 38.7 t -94.32 119.49 42.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.1 t -95.31 73.7 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -40.51 -74.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -175.06 166.91 3.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.111 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.403 ' SG ' HD12 ' A' ' 13' ' ' ILE . 66.0 m -120.96 151.15 40.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.0 ptt180 -140.61 168.33 20.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 58.48 47.56 13.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 58.4 mt -104.37 100.86 10.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.794 ' O ' HD12 ' A' ' 37' ' ' ILE . 2.8 pp -59.41 128.66 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.603 ' HB2' ' CD2' ' A' ' 71' ' ' LEU . . . -88.41 124.69 34.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.089 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -47.08 -22.28 0.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.6 t -147.52 142.15 26.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.832 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 42' ' ' ASP . 12.7 pt-20 -56.48 -49.44 74.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.443 ' N ' ' HG3' ' A' ' 41' ' ' GLU . 0.5 OUTLIER -36.8 -44.8 0.5 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 146.41 153.09 5.79 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.536 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.2 m -133.66 159.77 39.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.89 0.376 . . . . 0.0 110.84 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.1 83.55 2.33 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.623 0.725 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 153.97 68.04 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.677 2.251 . . . . 0.0 112.311 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -167.17 138.41 3.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.614 HG22 HG22 ' A' ' 97' ' ' VAL . 67.0 t -91.5 151.9 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.115 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -135.45 140.82 45.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 61.0 mtm -123.87 127.4 47.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.543 ' CE1' ' HB2' ' A' ' 61' ' ' ARG . 7.3 m-85 -136.22 122.94 21.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.8 tp -78.43 98.98 6.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.939 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.537 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 78.9 mt -75.01 154.58 86.68 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.62 0.724 . . . . 0.0 110.912 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.5 Cg_endo -69.75 -38.17 1.72 Allowed 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.643 -1.815 . . . . 0.0 112.348 -0.153 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.462 ' C ' ' O ' ' A' ' 54' ' ' PRO . 3.5 m-20 -33.06 129.28 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 57' ' ' ARG . 21.8 mmmt -113.41 35.44 4.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.903 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 56' ' ' LYS . 11.9 mmm180 -33.69 118.62 0.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.8 ttt180 -96.82 -30.73 13.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.816 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 79.3 p -85.78 -3.9 59.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -125.95 12.75 7.24 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.454 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.543 ' HB2' ' CE1' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -48.41 152.74 0.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.843 0.354 . . . . 0.0 110.839 -179.832 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.442 ' HG3' ' CD2' ' A' ' 79' ' ' PHE . 1.0 OUTLIER -129.13 110.24 11.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.896 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.6 ptmt -134.67 168.92 18.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 27.9 p -100.43 171.44 7.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.41 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 13.1 m-70 -56.67 152.2 12.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 33.6 t -97.06 115.89 37.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.109 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.492 ' HB3' HG21 ' A' ' 70' ' ' THR . 4.9 m -84.91 139.14 32.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -114.1 143.53 44.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? 58.89 52.98 6.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.492 HG21 ' HB3' ' A' ' 67' ' ' SER . 0.8 OUTLIER -165.73 149.54 8.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.603 ' CD2' ' HB2' ' A' ' 38' ' ' ALA . 90.7 mt -105.7 -22.76 12.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -117.6 82.9 16.48 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.58 0.705 . . . . 0.0 110.896 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.455 ' HB2' ' CZ ' ' A' ' 75' ' ' PHE . 53.7 Cg_endo -69.76 138.78 38.62 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.684 2.256 . . . . 0.0 112.331 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 54.6 t -126.64 115.36 41.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.091 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.455 ' CZ ' ' HB2' ' A' ' 73' ' ' PRO . 7.7 m-85 -110.29 -61.02 1.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.4 t0 72.65 28.87 2.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -88.35 156.59 19.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.4 t -125.08 118.11 25.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.442 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 5.4 m-85 -108.08 149.85 27.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.886 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.09 153.84 50.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.831 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -142.65 126.46 17.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 48.2 p -70.79 91.52 0.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.6 p -143.6 133.93 21.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.075 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.469 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 1.0 OUTLIER -75.12 146.8 41.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.853 -179.834 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.609 ' N ' ' CD ' ' A' ' 86' ' ' PRO . 4.3 tp -52.99 -44.4 96.87 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.63 0.729 . . . . 0.0 110.895 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 85' ' ' LEU . 65.9 Cg_exo -47.97 -32.24 17.58 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.71 2.273 . . . . 0.0 112.333 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -92.56 -54.26 3.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.468 HG12 ' HA ' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -47.45 -34.74 3.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.426 ' OE1' ' HA ' ' A' ' 86' ' ' PRO . 74.1 mt-30 -55.48 -57.68 10.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -69.51 -23.44 63.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 12.8 mtp85 -81.08 174.54 11.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.465 HG22 ' N ' ' A' ' 93' ' ' LEU . 53.5 m -141.39 156.67 45.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.465 ' N ' HG22 ' A' ' 92' ' ' THR . 11.2 tp -99.76 111.36 23.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -84.31 102.49 12.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.704 HG11 HD11 ' A' ' 15' ' ' LEU . 23.5 t -110.79 100.65 11.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.125 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.53 ' HB1' ' CE ' ' A' ' 98' ' ' LYS . . . -117.73 117.01 28.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.614 HG22 HG22 ' A' ' 48' ' ' VAL . 64.8 t -100.24 108.05 22.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.165 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.53 ' CE ' ' HB1' ' A' ' 96' ' ' ALA . 0.1 OUTLIER -132.4 176.49 8.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.584 ' HB3' HD11 ' A' ' 111' ' ' LEU . 4.5 p30 -94.8 120.99 35.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.3 t -60.91 143.15 55.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 63.25 -142.94 47.91 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.476 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 129.81 -163.98 22.67 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.465 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -75.85 -49.29 18.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.909 0.385 . . . . 0.0 110.929 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.1 mp -82.27 147.0 29.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 30.8 t -75.53 -44.1 45.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -118.79 106.34 12.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.457 ' N ' ' OD1' ' A' ' 107' ' ' ASP . 3.3 p-10 -157.64 -178.46 7.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 64.2 mttt -103.05 -35.08 8.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 40.55 37.92 1.35 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.53 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.419 ' CD2' ' HB2' ' A' ' 136' ' ' ASP . 3.2 tp -72.64 119.4 16.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.881 0.372 . . . . 0.0 110.912 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.86 ' O ' HD22 ' A' ' 10' ' ' LEU . 3.9 mt -102.7 -30.62 10.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.771 ' C ' HD22 ' A' ' 133' ' ' LEU . . . -174.17 125.45 1.11 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.474 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.646 ' N ' HD22 ' A' ' 133' ' ' LEU . 12.3 ptmt -136.84 160.03 40.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 7.6 p -161.8 138.73 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.125 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -97.28 148.59 22.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.92 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.785 HG11 ' CD1' ' A' ' 17' ' ' ILE . 71.0 t -128.31 116.65 42.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.154 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -77.59 112.78 14.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.066 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.425 ' CD1' HG22 ' A' ' 88' ' ' VAL . 6.4 mt -90.08 25.92 2.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.876 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -93.38 26.94 2.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.075 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.7 m -91.19 -175.96 4.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.819 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -121.61 -6.54 9.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -89.08 17.84 5.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 27.7 mt -75.59 -29.49 59.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.949 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -54.06 -38.91 65.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.28 -46.4 5.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 105.96 159.59 22.55 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.503 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 25.1 p90 -148.03 161.95 40.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.826 0.346 . . . . 0.0 110.951 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 89.4 m -133.77 131.17 39.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.119 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -161.05 165.22 30.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' TRP . . . . . 0.413 ' CE2' ' HB2' ' A' ' 14' ' ' GLN . 71.9 m95 -97.13 117.19 30.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -90.78 102.97 15.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.943 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -61.16 116.68 4.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.771 HD22 ' C ' ' A' ' 112' ' ' GLY . 67.6 mt -65.09 146.69 54.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.942 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 59.3 p -133.88 -178.03 4.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.17 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -78.96 171.21 15.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . 0.419 ' HB2' ' CD2' ' A' ' 110' ' ' LEU . 0.7 OUTLIER -72.4 -62.22 1.52 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.4 t -102.12 126.2 49.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -40.17 154.46 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.498 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 167.84 23.21 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.71 2.273 . . . . 0.0 112.387 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 8.5 m -160.37 156.31 26.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.88 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 78.6 p 45.41 41.62 6.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.51 -179.96 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.1 m -61.38 166.87 3.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.897 0.379 . . . . 0.0 110.849 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.8 m -125.31 130.75 52.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.75 60.86 0.51 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.459 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -83.3 125.85 32.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.854 0.359 . . . . 0.0 110.874 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.7 t -83.77 97.21 9.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.26 130.63 3.28 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.521 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.6 m -155.86 121.17 2.51 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.645 0.736 . . . . 0.0 110.894 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -22.22 32.38 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.741 2.294 . . . . 0.0 112.315 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.729 HD22 ' O ' ' A' ' 111' ' ' LEU . 91.6 mt -89.35 -48.93 7.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 142.86 -177.19 22.02 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.519 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -136.38 -179.07 5.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.716 0.293 . . . . 0.0 110.932 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.634 HD12 ' SG ' ' A' ' 33' ' ' CYS . 16.7 tt -166.0 137.95 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -105.85 119.63 39.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.3 mt -135.11 140.03 45.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 93.9 m -104.54 104.19 13.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.179 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 61.2 mt -98.8 119.78 47.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.126 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.8 ttm105 -147.73 116.03 6.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.479 ' CE1' ' HB2' ' A' ' 85' ' ' LEU . 28.5 t-80 -99.74 102.36 13.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.4 t -70.68 137.81 50.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.899 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 63.8 p -82.91 -40.24 20.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -66.9 -14.56 62.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.921 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.7 mmm-85 -119.25 -29.92 5.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.1 m120 62.69 44.63 6.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.7 mttt -131.65 147.13 52.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.512 HD21 HD13 ' A' ' 93' ' ' LEU . 24.6 tp -101.26 108.17 19.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.7 mp -97.64 130.26 46.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.114 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.9 t -132.06 112.86 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.3 t -96.83 132.32 41.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.092 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.7 t -106.38 91.64 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.413 ' O ' HG23 ' A' ' 74' ' ' VAL . 98.3 m-70 -56.34 -73.15 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.443 ' HB1' ' O ' ' A' ' 73' ' ' PRO . . . -172.24 159.1 4.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.092 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.634 ' SG ' HD12 ' A' ' 13' ' ' ILE . 63.2 m -111.31 143.98 41.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -133.81 172.11 13.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.494 HD22 ' N ' ' A' ' 35' ' ' ASN . 1.4 m-80 51.88 44.19 29.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.506 HD11 ' CB ' ' A' ' 33' ' ' CYS . 86.5 mt -101.02 93.0 5.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.423 HD12 ' C ' ' A' ' 37' ' ' ILE . 2.5 pp -53.98 150.11 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -110.66 131.94 54.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -51.85 -29.07 18.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 41' ' ' GLU . 4.2 t -144.68 117.48 8.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 40' ' ' SER . 7.6 mm-40 -34.44 -44.79 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 41' ' ' GLU . 10.9 t0 -35.32 -49.08 0.5 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.88 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 152.14 153.16 6.16 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.0 p -138.94 158.7 43.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.846 0.355 . . . . 0.0 110.859 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.74 84.13 3.96 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.585 0.707 . . . . 0.0 110.831 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 140.68 43.29 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.71 2.274 . . . . 0.0 112.323 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.529 ' CD1' ' OG ' ' A' ' 100' ' ' SER . 3.4 p90 -148.01 133.43 18.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.633 HG22 HG22 ' A' ' 97' ' ' VAL . 58.6 t -92.24 144.49 9.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.173 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.431 ' HD2' ' C ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -134.09 150.02 51.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 67.4 mtm -137.85 151.81 48.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.543 ' CZ ' ' HB2' ' A' ' 61' ' ' ARG . 10.5 m-85 -148.91 167.55 25.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.405 ' O ' ' O ' ' A' ' 55' ' ' ASP . 15.3 tp -123.34 87.89 2.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.536 ' HA ' ' C ' ' A' ' 54' ' ' PRO . 45.3 mt -66.22 153.2 92.82 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.598 0.713 . . . . 0.0 110.904 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 53' ' ' LEU . 53.6 Cg_endo -69.78 -46.77 0.34 Allowed 'Cis proline' 0 C--O 1.232 0.177 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.346 -0.1 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 54' ' ' PRO . 0.9 OUTLIER -36.06 113.69 0.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.873 179.919 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.477 ' HE3' HD21 ' A' ' 53' ' ' LEU . 42.2 mttt -106.68 49.32 0.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 38.4 mtp85 -47.55 93.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.817 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 56' ' ' LYS . 3.5 ptp180 -82.31 -14.36 55.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 69.2 m -74.72 -33.65 62.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -125.47 31.02 4.32 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.495 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.543 ' HB2' ' CZ ' ' A' ' 51' ' ' TYR . 4.9 ptt180 -51.82 153.85 2.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.781 0.324 . . . . 0.0 110.922 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.571 ' HG3' ' CE2' ' A' ' 81' ' ' PHE . 28.3 mmt-85 -113.15 110.38 20.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.3 pttt -137.77 169.23 18.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 49.3 p -96.49 156.48 16.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.163 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.409 ' CD2' ' H ' ' A' ' 66' ' ' VAL . 13.2 t-80 -53.2 156.29 2.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.409 ' H ' ' CD2' ' A' ' 65' ' ' HIS . 59.5 t -95.11 108.4 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.8 m -90.26 146.93 23.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 72.0 mttt -119.16 165.3 14.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp 47.56 53.33 11.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.3 t -169.15 128.51 1.04 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 71' ' ' LEU . 21.0 mt -89.52 -30.86 17.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 14.0 p-10 -115.07 78.22 5.5 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.65 0.738 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.443 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 53.7 Cg_endo -69.81 162.78 40.79 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.649 2.233 . . . . 0.0 112.368 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.428 HG23 ' HB2' ' A' ' 32' ' ' ALA . 2.6 p -150.36 120.15 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.476 ' O ' ' N ' ' A' ' 77' ' ' GLN . 1.4 m-85 -114.76 -21.75 10.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 75' ' ' PHE . 1.5 m-20 36.56 30.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 75' ' ' PHE . 5.1 tt0 -82.77 164.58 20.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.8 t -130.39 117.82 20.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -102.74 174.49 5.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -154.6 153.39 31.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.571 ' CE2' ' HG3' ' A' ' 62' ' ' ARG . 51.0 m-85 -143.26 118.42 10.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 52.5 p -68.91 88.82 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.833 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.41 HG12 ' O ' ' A' ' 81' ' ' PHE . 2.4 p -143.83 134.21 21.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.112 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.476 ' CB ' ' HD2' ' A' ' 86' ' ' PRO . 1.4 m -73.87 146.51 44.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.842 HD13 ' C ' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -50.71 -44.91 85.81 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.612 0.72 . . . . 0.0 110.946 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.72 ' N ' HD13 ' A' ' 85' ' ' LEU . 65.0 Cg_exo -48.0 -41.66 32.85 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.718 2.279 . . . . 0.0 112.335 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 89' ' ' GLN . 33.6 mt-10 -82.57 -57.3 3.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.461 HG12 ' O ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -40.81 -24.45 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.163 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.739 ' NE2' HD11 ' A' ' 85' ' ' LEU . 62.0 mt-30 -61.16 -57.78 11.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.5 mtp-105 -73.36 -18.87 61.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 41.2 mtt180 -80.84 168.08 19.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.406 HG22 ' N ' ' A' ' 93' ' ' LEU . 97.8 m -139.51 153.06 47.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.122 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.512 HD13 HD21 ' A' ' 26' ' ' LEU . 4.9 tp -97.96 101.83 13.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.63 102.81 5.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 11.3 t -112.63 110.65 32.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.43 ' HB1' ' CE ' ' A' ' 98' ' ' LYS . . . -128.99 124.95 36.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.084 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.633 HG22 HG22 ' A' ' 48' ' ' VAL . 75.8 t -104.44 103.42 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.553 ' HE2' HD13 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -116.58 -177.51 3.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.843 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.593 ' HB3' HD11 ' A' ' 111' ' ' LEU . 12.4 p-10 -110.27 108.9 19.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.529 ' OG ' ' CD1' ' A' ' 47' ' ' TYR . 4.0 m -66.8 125.27 25.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 157.86 -73.57 0.23 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.467 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 59.91 123.65 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.496 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -133.3 38.89 3.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.851 0.358 . . . . 0.0 110.875 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 8.2 mt -135.95 176.22 8.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.904 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 55.6 m -55.71 -71.31 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 15.6 mtmm -145.32 119.02 9.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -170.78 154.09 4.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -93.29 -29.62 15.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 50.11 64.59 3.45 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.499 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.553 HD13 ' HE2' ' A' ' 98' ' ' LYS . 7.0 tp -81.75 128.19 33.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.828 0.347 . . . . 0.0 110.923 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.729 ' O ' HD22 ' A' ' 10' ' ' LEU . 96.0 mt -92.03 -45.65 8.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.435 ' C ' HD22 ' A' ' 133' ' ' LEU . . . -173.23 145.85 8.6 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.478 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -150.49 150.2 30.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.831 0.348 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 7.2 p -145.43 130.18 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -93.79 148.66 21.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 96.2 t -131.19 117.75 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -74.78 109.68 8.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 21.7 mt -85.66 25.2 1.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -90.55 23.76 2.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.074 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.8 t -101.35 159.87 14.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -90.64 -33.03 15.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -43.33 -24.47 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 124' ' ' ALA . 18.6 mt -44.25 -48.1 9.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 123' ' ' LEU . . . -37.27 -34.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 179.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -105.57 -42.99 5.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 98.72 160.64 29.83 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.443 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . . . . . . . . . 30.3 p90 -147.42 171.81 14.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.865 0.364 . . . . 0.0 110.872 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 89.4 m -144.11 123.68 13.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -157.95 166.88 31.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' TRP . . . . . . . . . . . . . 80.7 m95 -91.78 109.41 20.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -79.92 103.84 10.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.968 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.88 120.53 10.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.83 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.435 HD22 ' C ' ' A' ' 112' ' ' GLY . 51.4 mt -69.0 155.24 40.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.938 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.584 ' HA ' HD12 ' A' ' 10' ' ' LEU . 34.6 p -147.94 161.47 41.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.449 ' HG3' HD11 ' A' ' 10' ' ' LEU . 29.8 mt-10 -74.24 158.98 33.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . 0.444 ' HB2' ' CD2' ' A' ' 110' ' ' LEU . 14.0 t0 -74.22 79.34 1.8 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 4.0 t -90.98 104.55 17.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 178.45 145.34 6.0 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.485 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 109.02 2.22 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.671 2.247 . . . . 0.0 112.356 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 28.2 p -85.16 157.06 20.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.814 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 28.1 p -107.09 130.95 54.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.823 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.502 179.99 . . . . . . . . 0 0 . 1 stop_ save_